TL;DR: (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one (CAS 1321785-61-8) is a chemical compound with molecular formula C20H16F2O and molecular weight 310.1169 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
Also Known As: STPNBQOTKFPYEG-RFTYBOQRSA-, 2,6-Bis(4-fluorobenzylidene)cyclohexanone, UPCMLD0ENAT0500-3871:001, 2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one, (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one
| Molecular Formula | C20H16F2O |
| Molecular Weight | 310.1169 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.1169 Da |
| Heavy Atoms | 23 |
| Complexity | 436.0 |
| SMILES | C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/C1 |
| InChIKey | STPNBQOTKFPYEG-RFTYBOQRSA-N |
The XLogP value of 5.3 indicates that (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one is 1321785-61-8.
The molecular formula of (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one is C20H16F2O.
The molecular weight of (2E,6Z)-2,6-bis[(4-fluorophenyl)methylidene]cyclohexan-1-one is 310.1169 g/mol.
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