Compound C16H12F12O4

4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one

CAS: 101247-78-3

Molecular Formula	`C16H12F12O4`
Molecular Weight	496.24 g/mol
LogP	3.9
Topological Polar Surface Area	77.8 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	16
Rotatable Bonds	6
Exact Mass	496.05438
Heavy Atoms	32
Complexity	628.0

Chemical Identifiers

CAS Number	101247-78-3
SMILES	`C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O`
InChIKey	`HEBKBNIPLXYMCJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C16H12F12O4 (CAS: 101247-78-3) is a chemical compound with molecular formula C16H12F12O4 and molecular weight 496.24 g/mol. Its IUPAC systematic name is 4,4,4-trifluoro-3-hydroxy-1-[4-[4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl]phenyl]-3-(trifluoromethyl)butan-1-one. LogP 3.9 Topological Polar Surface Area 77.8 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 16 Rotatable Bonds 6 Exact Mass 496.05438 Heavy Atoms 32 Complexity 628.0 InChI Key: HEBKBNIPLXYMCJ-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O.

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