2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

C15H11BrF4O — CID 65148021

IUPAC2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cc(F)ccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF4O/c16-13-6-5-12(17)7-10(13)8-14(21)9-1-3-11(4-2-9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyBCUVATAXESMCCK-UHFFFAOYSA-N
MW363.15 g/mol
LogP4.88
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 65148021) has the molecular formula C15H11BrF4O and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID65148021
Molecular FormulaC15H11BrF4O
Molecular Weight363.15 g/mol
Exact Mass361.99
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(Cc1cc(F)ccc1Br)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF4O/c16-13-6-5-12(17)7-10(13)8-14(21)9-1-3-11(4-2-9)15(18,19)20/h1-7,14,21H,8H2
InChIKeyBCUVATAXESMCCK-UHFFFAOYSA-N
XLogP4.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
2-(4-bromo-2-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148068
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 65146117
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372779
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(4-tert-butylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 63895221
2-(2-bromo-4-fluorophenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 105087921
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(3-bromo-4-methylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 81476241
1-(2-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 62608381

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 65148021) is 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(Cc1cc(F)ccc1Br)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BCUVATAXESMCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4O/c16-13-6-5-12(17)7-10(13)8-14(21)9-1-3-11(4-2-9)15(18,19)20/h1-7,14,21H,8H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 363.15 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 65148021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).