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'}

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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).