2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol

C14H9BrF4O — CID 62608623

IUPAC2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9BrF4O/c15-9-2-1-7(10(16)6-9)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6,13,20H,5H2
InChIKeyWANBQIXRZMKXKT-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.28
Rot. Bonds3

About 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol

2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol (PubChem CID 62608623) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
PubChem CID62608623
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol
SMILESOC(Cc1ccc(Br)cc1F)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H9BrF4O/c15-9-2-1-7(10(16)6-9)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6,13,20H,5H2
InChIKeyWANBQIXRZMKXKT-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)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-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
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-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
2-(4-bromo-2-fluorophenyl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105089166
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
2-(4-bromo-2-fluorophenyl)-1-(furan-2-yl)ethanol
CID 62715953
2-(4-bromo-2-fluorophenyl)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 115788462
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
2-(4-bromo-2-fluorophenyl)-1-(5-methylthiophen-2-yl)ethanol
CID 65148086

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol (CID 62608623) is 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol is OC(Cc1ccc(Br)cc1F)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is WANBQIXRZMKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-9-2-1-7(10(16)6-9)5-13(20)8-3-11(17)14(19)12(18)4-8/h1-4,6,13,20H,5H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol?
2-(4-bromo-2-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 349.12 g/mol, XLogP of 4.28, 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-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 62608623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).