1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol

C8H6BrClF2O — CID 83230064

IUPAC1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)c(Br)c1)C(F)F
InChIInChI=1S/C8H6BrClF2O/c9-5-3-4(1-2-6(5)10)7(13)8(11)12/h1-3,7-8,13H
InChIKeyRROIIQFAPCBDLA-UHFFFAOYSA-N
MW271.49 g/mol
LogP3.40
Rot. Bonds2

About 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol

1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol (PubChem CID 83230064) has the molecular formula C8H6BrClF2O and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol
PubChem CID83230064
Molecular FormulaC8H6BrClF2O
Molecular Weight271.49 g/mol
Exact Mass269.93
IUPAC Name1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)c(Br)c1)C(F)F
InChIInChI=1S/C8H6BrClF2O/c9-5-3-4(1-2-6(5)10)7(13)8(11)12/h1-3,7-8,13H
InChIKeyRROIIQFAPCBDLA-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol (CID 83230064) is 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol is OC(c1ccc(Cl)c(Br)c1)C(F)F.
What is the InChIKey of 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol?
The InChIKey is RROIIQFAPCBDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClF2O/c9-5-3-4(1-2-6(5)10)7(13)8(11)12/h1-3,7-8,13H.
What are the key properties of 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol?
1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol has a molecular weight of 271.49 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-chlorophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 83230064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).