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

C14H9BrF4O — CID 106644358

IUPAC(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF4O/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13,20H
InChIKeyIHCXICUICFPZAW-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.69
Rot. Bonds2

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

(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 106644358) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID106644358
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccccc1C(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C14H9BrF4O/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13,20H
InChIKeyIHCXICUICFPZAW-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

(S)-(3-bromo-2-fluorophenyl)-(2-chlorophenyl)methanol
CID 129410443
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
[2-amino-5-(trifluoromethyl)phenyl]-(3-bromo-2-fluorophenyl)methanol
CID 106645175
(3-bromo-2-fluorophenyl)-(2,4,5-trifluorophenyl)methanol
CID 107955792
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
1-(3-bromo-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106648357
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 106644358) is (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccccc1C(F)(F)F)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is IHCXICUICFPZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13,20H.
What are the key properties of (3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
(3-bromo-2-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-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 106644358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).