3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol

C9H7BrClF3O — CID 112575189

IUPAC3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)C(F)(F)Cl
InChIInChI=1S/C9H7BrClF3O/c10-7-4-6(12)2-1-5(7)3-8(15)9(11,13)14/h1-2,4,8,15H,3H2
InChIKeyGXYPACPWGBKIMR-UHFFFAOYSA-N
MW303.50 g/mol
LogP3.32
Rot. Bonds3

About 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol

3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol (PubChem CID 112575189) has the molecular formula C9H7BrClF3O and a molecular weight of 303.50 g/mol. Its IUPAC name is 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
PubChem CID112575189
Molecular FormulaC9H7BrClF3O
Molecular Weight303.50 g/mol
Exact Mass301.93
IUPAC Name3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccc(F)cc1Br)C(F)(F)Cl
InChIInChI=1S/C9H7BrClF3O/c10-7-4-6(12)2-1-5(7)3-8(15)9(11,13)14/h1-2,4,8,15H,3H2
InChIKeyGXYPACPWGBKIMR-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575389
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
2-bromo-1-[3-chloro-2-(chloromethyl)propyl]-4-fluorobenzene
CID 79447558
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474046
3-(2-bromo-4-fluorophenyl)-2-chloropropanal
CID 62395523
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787
2-(2-bromo-4-fluorophenyl)-1-(4-chloro-2,5-difluorophenyl)ethanol
CID 115786975
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-fluorophenyl)ethanol
CID 115786915
1-(2-bromo-4-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 115786894

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol (CID 112575189) is 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol is OC(Cc1ccc(F)cc1Br)C(F)(F)Cl.
What is the InChIKey of 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The InChIKey is GXYPACPWGBKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrClF3O/c10-7-4-6(12)2-1-5(7)3-8(15)9(11,13)14/h1-2,4,8,15H,3H2.
What are the key properties of 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol?
3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol has a molecular weight of 303.50 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).