2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol

C14H10BrF3O — CID 79703067

IUPAC2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF3O/c15-10-1-8(2-11(16)6-10)3-14(19)9-4-12(17)7-13(18)5-9/h1-2,4-7,14,19H,3H2
InChIKeyCXQJSSUHOKEHDU-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.14
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol (PubChem CID 79703067) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
PubChem CID79703067
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
SMILESOC(Cc1cc(F)cc(Br)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C14H10BrF3O/c15-10-1-8(2-11(16)6-10)3-14(19)9-4-12(17)7-13(18)5-9/h1-2,4-7,14,19H,3H2
InChIKeyCXQJSSUHOKEHDU-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.13
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-5-fluorophenyl)-2-(3-bromophenyl)ethanol
CID 63017169
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CID 115822678
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
1-(3-bromo-5-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 79701664
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
1-(3-bromo-5-fluorophenyl)-3-ethylpentan-2-ol
CID 79703019
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanol
CID 104736133
2-(3-bromo-5-fluorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 79702768
2-(3-bromo-5-fluorophenyl)-1-(3-bromofuran-2-yl)ethanol
CID 106886287
1-(3-bromo-5-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanol
CID 66423442
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol (CID 79703067) is 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol is OC(Cc1cc(F)cc(Br)c1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol?
The InChIKey is CXQJSSUHOKEHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-10-1-8(2-11(16)6-10)3-14(19)9-4-12(17)7-13(18)5-9/h1-2,4-7,14,19H,3H2.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol has a molecular weight of 331.13 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol is sourced from PubChem (CID 79703067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).