(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol

C13H7BrF4O — CID 107955792

IUPAC(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)c1cccc(Br)c1F
InChIInChI=1S/C13H7BrF4O/c14-8-3-1-2-6(12(8)18)13(19)7-4-10(16)11(17)5-9(7)15/h1-5,13,19H
InChIKeyRFHLKUNSRBZYFF-UHFFFAOYSA-N
MW335.09 g/mol
LogP4.09
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol (PubChem CID 107955792) has the molecular formula C13H7BrF4O and a molecular weight of 335.09 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
PubChem CID107955792
Molecular FormulaC13H7BrF4O
Molecular Weight335.09 g/mol
Exact Mass333.96
IUPAC Name(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)cc1F)c1cccc(Br)c1F
InChIInChI=1S/C13H7BrF4O/c14-8-3-1-2-6(12(8)18)13(19)7-4-10(16)11(17)5-9(7)15/h1-5,13,19H
InChIKeyRFHLKUNSRBZYFF-UHFFFAOYSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.09
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol 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

(3-bromo-2-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 106648345
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(4-bromo-2,5-difluorophenyl)-(3-chloro-2-fluorophenyl)methanol
CID 81264627
(3-bromo-2-fluorophenyl)-(3,5-difluorophenyl)methanol
CID 106644628
(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2-bromo-4-methylphenyl)methanol
CID 106644538
(3-bromo-2-fluorophenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107955673
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 106644397
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550
(3-bromo-2-fluorophenyl)-(2-bromo-5-methoxyphenyl)methanol
CID 106648491
(3-bromo-2-fluorophenyl)-(4-fluoro-2-methoxyphenyl)methanol
CID 86730397

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol (CID 107955792) is (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)cc1F)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol?
The InChIKey is RFHLKUNSRBZYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF4O/c14-8-3-1-2-6(12(8)18)13(19)7-4-10(16)11(17)5-9(7)15/h1-5,13,19H.
What are the key properties of (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol?
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol has a molecular weight of 335.09 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 107955792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).