[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol

C14H9BrClF3O — CID 62688965

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3O/c15-9-3-6-11(12(7-9)14(17,18)19)13(20)8-1-4-10(16)5-2-8/h1-7,13,20H
InChIKeyKIQRWQPZWBYBNB-UHFFFAOYSA-N
MW365.58 g/mol
LogP5.20
Rot. Bonds2

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

[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol (PubChem CID 62688965) has the molecular formula C14H9BrClF3O and a molecular weight of 365.58 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
PubChem CID62688965
Molecular FormulaC14H9BrClF3O
Molecular Weight365.58 g/mol
Exact Mass363.95
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
SMILESOC(c1ccc(Cl)cc1)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3O/c15-9-3-6-11(12(7-9)14(17,18)19)13(20)8-1-4-10(16)5-2-8/h1-7,13,20H
InChIKeyKIQRWQPZWBYBNB-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

[4-bromo-2-(trifluoromethyl)phenyl]-(3-chlorophenyl)methanol
CID 62691371
[2,4-bis(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 54576991
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
4-bromo-1-[chloro-(3,4-dichlorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333351
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
(2,5-dibromophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107292014
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
CID 62789466
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(2,5-dibromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63426128
[4-bromo-2-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanol
CID 63968386

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol (CID 62688965) is [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol is OC(c1ccc(Cl)cc1)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
The InChIKey is KIQRWQPZWBYBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3O/c15-9-3-6-11(12(7-9)14(17,18)19)13(20)8-1-4-10(16)5-2-8/h1-7,13,20H.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol?
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)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 [4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol is sourced from PubChem (CID 62688965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).