[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol

C15H11BrF4O — CID 62789466

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF4O/c1-8-2-4-10(17)7-12(8)14(21)11-5-3-9(16)6-13(11)15(18,19)20/h2-7,14,21H,1H3
InChIKeyFJCQORROUGAPEO-UHFFFAOYSA-N
MW363.15 g/mol
LogP5.00
Rot. Bonds2

About [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol

[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol (PubChem CID 62789466) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
PubChem CID62789466
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol
SMILESCc1ccc(F)cc1C(O)c1ccc(Br)cc1C(F)(F)F
InChIInChI=1S/C15H11BrF4O/c1-8-2-4-10(17)7-12(8)14(21)11-5-3-9(16)6-13(11)15(18,19)20/h2-7,14,21H,1H3
InChIKeyFJCQORROUGAPEO-UHFFFAOYSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114329952
1-[bromo-[4-bromo-2-(trifluoromethyl)phenyl]methyl]-2,4-difluorobenzene
CID 107333370
(4-bromo-2-methylphenyl)-(2,4-difluorophenyl)methanol
CID 61087729
4-bromo-1-[bromo-(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzene
CID 107333360
(2-bromo-3-methylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114024273
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylphenyl)methanamine
CID 63416477
[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-(5-fluoro-2-methylphenyl)methanol
CID 106972147
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chlorophenyl)methanol
CID 62688965
(5-bromothiophen-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanol
CID 107333317
(2-bromo-5-fluorophenyl)-(4-fluoro-2-methylphenyl)methanol
CID 115794207

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol (CID 62789466) is [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol is Cc1ccc(F)cc1C(O)c1ccc(Br)cc1C(F)(F)F.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol?
The InChIKey is FJCQORROUGAPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c1-8-2-4-10(17)7-12(8)14(21)11-5-3-9(16)6-13(11)15(18,19)20/h2-7,14,21H,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol?
[4-bromo-2-(trifluoromethyl)phenyl]-(5-fluoro-2-methylphenyl)methanol has a molecular weight of 363.15 g/mol, XLogP of 5.00, 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]-(5-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 62789466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).