5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene

C11H12ClF — CID 169477157

IUPAC5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C=CCCl)cc(C)c1F
InChIInChI=1S/C11H12ClF/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h3-4,6-7H,5H2,1-2H3
InChIKeyUFSYMUCXLSIFPL-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.69
Rot. Bonds2

About 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene

5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene (PubChem CID 169477157) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
PubChem CID169477157
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C=CCCl)cc(C)c1F
InChIInChI=1S/C11H12ClF/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h3-4,6-7H,5H2,1-2H3
InChIKeyUFSYMUCXLSIFPL-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene 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

3-(4-fluoro-3,5-dimethylphenyl)-N-methylprop-2-en-1-amine
CID 169473418
(E)-3-(4-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285338
(E)-3-(3-bromo-4-fluoro-5-methylphenyl)prop-2-en-1-amine
CID 117361697
2-chloro-4-[(E)-3-chloroprop-1-enyl]-1-methylbenzene
CID 106819246
2-bromo-4-(3-chloroprop-1-enyl)-1-methylbenzene
CID 169478305
3-(4-fluoro-3,5-dimethylphenyl)prop-2-enenitrile
CID 169483304
1-(3-chloroprop-1-enyl)-2,4,5-trimethylbenzene
CID 79323104
5-(3-chloroprop-1-enyl)-1,3-difluoro-2-nitrobenzene
CID 169477951
[5-(3-chloroprop-1-enyl)-2-methylphenyl]methanol
CID 169477252
4-(3-chloroprop-1-enyl)-3,5-dimethylaniline
CID 169477372
1-(3-chloroprop-1-enyl)-3-methylsulfanylbenzene
CID 169476898
3-chloro-5-(3-chloroprop-1-enyl)phenol
CID 169476931

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene (CID 169477157) is 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene is Cc1cc(C=CCCl)cc(C)c1F.
What is the InChIKey of 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene?
The InChIKey is UFSYMUCXLSIFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-8-6-10(4-3-5-12)7-9(2)11(8)13/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene?
5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene has a molecular weight of 198.67 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroprop-1-enyl)-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 169477157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).