1-bromo-4-(1,1-difluoroprop-2-enyl)benzene

C9H7BrF2 — CID 125480479

IUPAC1-bromo-4-(1,1-difluoroprop-2-enyl)benzene
SMILESC=CC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2/c1-2-9(11,12)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKeyOUEMSMQQHBDEPC-UHFFFAOYSA-N
MW233.06 g/mol
LogP3.73
Rot. Bonds2

About 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene

1-bromo-4-(1,1-difluoroprop-2-enyl)benzene (PubChem CID 125480479) has the molecular formula C9H7BrF2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(1,1-difluoroprop-2-enyl)benzene
PubChem CID125480479
Molecular FormulaC9H7BrF2
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name1-bromo-4-(1,1-difluoroprop-2-enyl)benzene
SMILESC=CC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C9H7BrF2/c1-2-9(11,12)7-3-5-8(10)6-4-7/h2-6H,1H2
InChIKeyOUEMSMQQHBDEPC-UHFFFAOYSA-N
XLogP3.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-4-(1,1-difluoroprop-2-enyl)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

2-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 170770730
4-(1,1-difluoroprop-2-enyl)benzaldehyde
CID 125492503
2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 121006575
1-(4-bromophenyl)-2,2-difluorobut-3-en-1-ol
CID 15807454
1-bromo-4-[(3S)-3-methylhexa-1,5-dien-3-yl]benzene
CID 138969388
1-bromo-4-(trifluoromethyl)benzene;[4-(trifluoromethyl)phenyl]boronic acid
CID 159303524
(2R,3S)-2-(4-bromophenyl)-3-ethyl-3-methylpent-4-en-2-ol
CID 46217912
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-iodoethanol
CID 68607834
2-[4-(1,1-difluoroprop-2-enyl)phenyl]-1-methylpyrrolidine
CID 162556026
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol
CID 66582585
2-(4-bromophenyl)-2-methylpropanal
CID 10013947
azane;1,4-dibromobenzene
CID 175259215

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene?
The IUPAC name of 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene (CID 125480479) is 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene.
What is the SMILES notation for 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene?
The canonical SMILES for 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene is C=CC(F)(F)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene?
The InChIKey is OUEMSMQQHBDEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2/c1-2-9(11,12)7-3-5-8(10)6-4-7/h2-6H,1H2.
What are the key properties of 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene?
1-bromo-4-(1,1-difluoroprop-2-enyl)benzene has a molecular weight of 233.06 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(1,1-difluoroprop-2-enyl)benzene is sourced from PubChem (CID 125480479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).