(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol

C13H8BrF3O — CID 61101647

IUPAC(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF3O/c14-8-3-7(4-10(16)5-8)13(18)11-6-9(15)1-2-12(11)17/h1-6,13,18H
InChIKeyZGTLQWUUHLJTMR-UHFFFAOYSA-N
MW317.10 g/mol
LogP3.95
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol

(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol (PubChem CID 61101647) has the molecular formula C13H8BrF3O and a molecular weight of 317.10 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
PubChem CID61101647
Molecular FormulaC13H8BrF3O
Molecular Weight317.10 g/mol
Exact Mass315.97
IUPAC Name(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1cc(F)ccc1F
InChIInChI=1S/C13H8BrF3O/c14-8-3-7(4-10(16)5-8)13(18)11-6-9(15)1-2-12(11)17/h1-6,13,18H
InChIKeyZGTLQWUUHLJTMR-UHFFFAOYSA-N
XLogP3.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)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

1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
(5-bromo-2-fluorophenyl)-(3-fluorophenyl)methanol
CID 63893368
(3-bromo-5-fluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 66424633
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
(2,5-difluorophenyl)-(3,5-dimethoxyphenyl)methanol
CID 61100108
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(2-bromophenyl)-(2,5-difluorophenyl)methanol
CID 61101637
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802735
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
CID 66425226
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol (CID 61101647) is (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol is OC(c1cc(F)cc(Br)c1)c1cc(F)ccc1F.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol?
The InChIKey is ZGTLQWUUHLJTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3O/c14-8-3-7(4-10(16)5-8)13(18)11-6-9(15)1-2-12(11)17/h1-6,13,18H.
What are the key properties of (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol?
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol has a molecular weight of 317.10 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol is sourced from PubChem (CID 61101647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).