1-bromo-2-(2,2-difluoropropyl)benzene

C9H9BrF2 — CID 84698254

IUPAC1-bromo-2-(2,2-difluoropropyl)benzene
SMILESCC(F)(F)Cc1ccccc1Br
InChIInChI=1S/C9H9BrF2/c1-9(11,12)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyIRNYBFGMIWGVCQ-UHFFFAOYSA-N
MW235.07 g/mol
LogP3.65
Rot. Bonds2

About 1-bromo-2-(2,2-difluoropropyl)benzene

1-bromo-2-(2,2-difluoropropyl)benzene (PubChem CID 84698254) has the molecular formula C9H9BrF2 and a molecular weight of 235.07 g/mol. Its IUPAC name is 1-bromo-2-(2,2-difluoropropyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(2,2-difluoropropyl)benzene
PubChem CID84698254
Molecular FormulaC9H9BrF2
Molecular Weight235.07 g/mol
Exact Mass233.99
IUPAC Name1-bromo-2-(2,2-difluoropropyl)benzene
SMILESCC(F)(F)Cc1ccccc1Br
InChIInChI=1S/C9H9BrF2/c1-9(11,12)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChIKeyIRNYBFGMIWGVCQ-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-(2,2-difluoropropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
1-bromo-2-(3-bromo-2,2-dimethylpropyl)benzene
CID 66049057
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344
2-[(2-bromophenyl)methyl]-3,3-difluoro-2-methylpropan-1-amine
CID 84730326
1,2-bis(2-bromophenyl)propan-2-amine
CID 54919156
2-[(2-bromophenyl)methyl]-2-fluoropentan-1-amine
CID 112567710
1-(2-bromophenyl)-2-methylpentan-2-ol
CID 80557375
1-(2-bromophenyl)-3,3-difluorobutan-2-amine
CID 84711182
1-bromo-2-(3,3,3-trifluoro-2-methylpropyl)benzene
CID 134968828
2-[2-(2,2-difluoropropyl)phenyl]acetic acid
CID 84680236
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
1-bromo-2-[2-(bromomethyl)-2-methylbut-3-enyl]benzene
CID 102642227

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2,2-difluoropropyl)benzene?
The IUPAC name of 1-bromo-2-(2,2-difluoropropyl)benzene (CID 84698254) is 1-bromo-2-(2,2-difluoropropyl)benzene.
What is the SMILES notation for 1-bromo-2-(2,2-difluoropropyl)benzene?
The canonical SMILES for 1-bromo-2-(2,2-difluoropropyl)benzene is CC(F)(F)Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-(2,2-difluoropropyl)benzene?
The InChIKey is IRNYBFGMIWGVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2/c1-9(11,12)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3.
What are the key properties of 1-bromo-2-(2,2-difluoropropyl)benzene?
1-bromo-2-(2,2-difluoropropyl)benzene has a molecular weight of 235.07 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2,2-difluoropropyl)benzene is sourced from PubChem (CID 84698254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).