(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol

C14H9BrF4O — CID 66424632

IUPAC(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7,13,20H
InChIKeyPANOPYVPKHOAIO-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.69
Rot. Bonds2

About (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol

(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 66424632) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID66424632
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7,13,20H
InChIKeyPANOPYVPKHOAIO-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.12
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
CID 66425226
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 115796079
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
(3,5-dibromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 107978305
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 66424632) is (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1cc(F)cc(Br)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is PANOPYVPKHOAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-9-5-8(6-10(16)7-9)13(20)11-3-1-2-4-12(11)14(17,18)19/h1-7,13,20H.
What are the key properties of (3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 349.12 g/mol, XLogP of 4.69, 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-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 66424632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).