(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol

C14H9BrClF3O — CID 115796079

IUPAC(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7,13,20H
InChIKeyMQWZNZOFHPGZIK-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.20
Rot. Bonds2

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

(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 115796079) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID115796079
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1cc(Br)ccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7,13,20H
InChIKeyMQWZNZOFHPGZIK-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.58
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-chlorophenyl)-(2-methylphenyl)methanol
CID 114979219
2-[bromo-[2-(trifluoromethyl)phenyl]methyl]-1,4-dichlorobenzene
CID 63444855
(4-bromo-3,5-dimethylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 114330011
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(3-bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 106644358
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(4,5-dibromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63894639
(5-bromofuran-2-yl)-[2-(trifluoromethyl)phenyl]methanol
CID 63893476
(5-bromo-2-chlorophenyl)-(4-fluorophenyl)methanol
CID 61100202
(5-bromo-2-chlorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 115807083
1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 115796079) is (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol is OC(c1cc(Br)ccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is MQWZNZOFHPGZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-8-5-6-12(16)10(7-8)13(20)9-3-1-2-4-11(9)14(17,18)19/h1-7,13,20H.
What are the key properties of (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol?
(5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 365.58 g/mol, XLogP of 5.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 115796079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).