3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol

C9H8BrClF2O — CID 112575389

IUPAC3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccccc1Br)C(F)(F)Cl
InChIInChI=1S/C9H8BrClF2O/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyDIFKCHYHDCPAQU-UHFFFAOYSA-N
MW285.51 g/mol
LogP3.18
Rot. Bonds3

About 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol

3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol (PubChem CID 112575389) has the molecular formula C9H8BrClF2O and a molecular weight of 285.51 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
PubChem CID112575389
Molecular FormulaC9H8BrClF2O
Molecular Weight285.51 g/mol
Exact Mass283.94
IUPAC Name3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol
SMILESOC(Cc1ccccc1Br)C(F)(F)Cl
InChIInChI=1S/C9H8BrClF2O/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8,14H,5H2
InChIKeyDIFKCHYHDCPAQU-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.51
LogP ≤ 53.18
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

3-(2-bromo-4-fluorophenyl)-1-chloro-1,1-difluoropropan-2-ol
CID 112575189
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
3-(2-bromophenyl)-1,1-difluoropropan-2-ol
CID 112699172
2-[(2-bromophenyl)methyl]-3,3,3-trifluoropropan-1-ol
CID 115051968
(2R)-3-(2-bromophenyl)-1,1,1-trifluoropropan-2-amine
CID 97110840
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
3-[(2-bromophenyl)methyl-methylamino]-1,1,1-trifluoropropan-2-ol
CID 63901849
1-(2-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931497
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
1-(2-bromophenyl)-3-methylsulfanylpropan-2-ol
CID 62692341
1-chloro-3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 112575174
2-(2-bromophenyl)-1-(5-chlorofuran-2-yl)ethanol
CID 106693547

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol (CID 112575389) is 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol is OC(Cc1ccccc1Br)C(F)(F)Cl.
What is the InChIKey of 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol?
The InChIKey is DIFKCHYHDCPAQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClF2O/c10-7-4-2-1-3-6(7)5-8(14)9(11,12)13/h1-4,8,14H,5H2.
What are the key properties of 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol?
3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol has a molecular weight of 285.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-chloro-1,1-difluoropropan-2-ol is sourced from PubChem (CID 112575389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).