![1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- structure](/static/products/1117/111795-45-0.webp)
1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-
TL;DR: 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- (CAS 111795-45-0) is a chemical compound with molecular formula C13H7F5N2 and molecular weight 286.05295 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
Also Known As: 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-, BAS 00435655, N-Pentafluorophenylmethylene-benzene-1,2-diamine, J2.276.947B, 2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]aniline
Technical Specifications
| Molecular Formula | C13H7F5N2 |
| Molecular Weight | 286.05295 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 38.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.05295 Da |
| Heavy Atoms | 20 |
| Complexity | 338.0 |
| SMILES | C1=CC=C(C(=C1)N)N=CC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | KPKCPGYFGJTBQI-UHFFFAOYSA-N |
Chemical Property Profile of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-
Property Insights of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-
The XLogP value of 3.0 indicates that 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.4 Ų, 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-?
The CAS number of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- is 111795-45-0.
What is the molecular formula of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-?
The molecular formula of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- is C13H7F5N2.
What is the molecular weight of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-?
The molecular weight of 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- is 286.05295 g/mol.
Where can I buy 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-?
You can request a quote for 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]-?
Yes, CoreyChem provides custom synthesis services for 1,2-Benzenediamine, N-[(pentafluorophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.