2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H11BrF4O — CID 65148068

IUPAC2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF4O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h1-6,8,14,21H,7H2
InChIKeyFQJNTWSJMROYTE-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.88
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 65148068) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID65148068
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF4O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h1-6,8,14,21H,7H2
InChIKeyFQJNTWSJMROYTE-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 106695442
2-(4-bromo-2-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105089225
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
CID 62608623
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148021
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-pyridin-3-ylethanol
CID 55096037
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 65148068) is 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1ccc(Br)cc1F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is FQJNTWSJMROYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c16-12-6-3-10(13(17)8-12)7-14(21)9-1-4-11(5-2-9)15(18,19)20/h1-6,8,14,21H,7H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 363.15 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 65148068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).