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

C14H9BrF4O — CID 81437311

IUPAC(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)c(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7,13,20H
InChIKeyPAWAJGACLBCYFG-UHFFFAOYSA-N
MW349.12 g/mol
LogP4.69
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol

(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 81437311) has the molecular formula C14H9BrF4O and a molecular weight of 349.12 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID81437311
Molecular FormulaC14H9BrF4O
Molecular Weight349.12 g/mol
Exact Mass347.98
IUPAC Name(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(Br)c(F)c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrF4O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7,13,20H
InChIKeyPAWAJGACLBCYFG-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-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287213
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
(4,5-dibromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 80535506
4-bromo-3-fluoro-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 65437825
(3-bromo-4-fluorophenyl)-(2-bromophenyl)methanol
CID 79746626
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 81437311) is (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccc(Br)c(F)c1)c1ccccc1C(F)(F)F.
What is the InChIKey of (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is PAWAJGACLBCYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrF4O/c15-11-6-5-8(7-12(11)16)13(20)9-3-1-2-4-10(9)14(17,18)19/h1-7,13,20H.
What are the key properties of (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
(4-bromo-3-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 (4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 81437311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).