2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol

C14H10BrF3O — CID 65148571

IUPAC2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3O/c15-9-4-5-10(16)8(6-9)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13,19H,7H2
InChIKeyRROXBEPASWINKW-UHFFFAOYSA-N
MW331.13 g/mol
LogP4.14
Rot. Bonds3

About 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol

2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol (PubChem CID 65148571) has the molecular formula C14H10BrF3O and a molecular weight of 331.13 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
PubChem CID65148571
Molecular FormulaC14H10BrF3O
Molecular Weight331.13 g/mol
Exact Mass329.99
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C14H10BrF3O/c15-9-4-5-10(16)8(6-9)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13,19H,7H2
InChIKeyRROXBEPASWINKW-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-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
2-(5-bromo-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanol
CID 65148464
2-(5-bromo-2-fluorophenyl)-1-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(5-bromo-2-fluorophenyl)-1-(5-bromofuran-2-yl)ethanol
CID 65150871
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(5-bromo-2-fluorophenyl)-1-(2-chloro-6-fluorophenyl)ethanamine
CID 115839362
2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(5-bromo-2-fluorophenyl)-1-(3-cyclopropylphenyl)ethanol
CID 79980480
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
1-(5-bromo-2-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 115839093

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol (CID 65148571) is 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol is OC(Cc1cc(Br)ccc1F)c1c(F)cccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is RROXBEPASWINKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O/c15-9-4-5-10(16)8(6-9)7-13(19)14-11(17)2-1-3-12(14)18/h1-6,13,19H,7H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(2,6-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-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 65148571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).