1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol

C14H9Br2F3O — CID 115784854

IUPAC1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9Br2F3O/c15-8-1-2-10(17)7(3-8)4-13(20)14-11(18)5-9(16)6-12(14)19/h1-3,5-6,13,20H,4H2
InChIKeyJQZHRFPERHUGBZ-UHFFFAOYSA-N
MW410.03 g/mol
LogP4.91
Rot. Bonds3

About 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol

1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol (PubChem CID 115784854) has the molecular formula C14H9Br2F3O and a molecular weight of 410.03 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
PubChem CID115784854
Molecular FormulaC14H9Br2F3O
Molecular Weight410.03 g/mol
Exact Mass407.90
IUPAC Name1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C14H9Br2F3O/c15-8-1-2-10(17)7(3-8)4-13(20)14-11(18)5-9(16)6-12(14)19/h1-3,5-6,13,20H,4H2
InChIKeyJQZHRFPERHUGBZ-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.03
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 65148571
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-(5-bromo-2-methylphenyl)ethanol
CID 115784822
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115784831
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
2-(4-bromo-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 115788594
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-(5-bromo-2-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 79721551
1-(4-bromo-2,6-difluorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822678

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol (CID 115784854) is 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol is OC(Cc1cc(Br)ccc1F)c1c(F)cc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
The InChIKey is JQZHRFPERHUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2F3O/c15-8-1-2-10(17)7(3-8)4-13(20)14-11(18)5-9(16)6-12(14)19/h1-3,5-6,13,20H,4H2.
What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol?
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol has a molecular weight of 410.03 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol is sourced from PubChem (CID 115784854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).