1-(4-bromophenyl)-2,2-difluoroethanol

C8H7BrF2O — CID 15942204

IUPAC1-(4-bromophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H
InChIKeyMACLWDXHRYFAPX-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.75
Rot. Bonds2

About 1-(4-bromophenyl)-2,2-difluoroethanol

1-(4-bromophenyl)-2,2-difluoroethanol (PubChem CID 15942204) has the molecular formula C8H7BrF2O and a molecular weight of 237.04 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-difluoroethanol
PubChem CID15942204
Molecular FormulaC8H7BrF2O
Molecular Weight237.04 g/mol
Exact Mass235.96
IUPAC Name1-(4-bromophenyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Br)cc1)C(F)F
InChIInChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H
InChIKeyMACLWDXHRYFAPX-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(4-bromophenyl)-2,2-difluoroethanol (CID 15942204) is 1-(4-bromophenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(4-bromophenyl)-2,2-difluoroethanol is OC(c1ccc(Br)cc1)C(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2,2-difluoroethanol?
The InChIKey is MACLWDXHRYFAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H.
What are the key properties of 1-(4-bromophenyl)-2,2-difluoroethanol?
1-(4-bromophenyl)-2,2-difluoroethanol has a molecular weight of 237.04 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-difluoroethanol is sourced from PubChem (CID 15942204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).