1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene

C12H15F — CID 84820301

IUPAC1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
SMILESCC(C)C/C=C\c1ccccc1F
InChIInChI=1S/C12H15F/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,6H2,1-2H3/b8-5-
InChIKeyOECLAIXLBABSHB-YVMONPNESA-N
MW178.25 g/mol
LogP3.88
Rot. Bonds3

About 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene

1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene (PubChem CID 84820301) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
PubChem CID84820301
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene
SMILESCC(C)C/C=C\c1ccccc1F
InChIInChI=1S/C12H15F/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,6H2,1-2H3/b8-5-
InChIKeyOECLAIXLBABSHB-YVMONPNESA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-2-[(Z)-4-methylpent-1-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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene?
The IUPAC name of 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene (CID 84820301) is 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene?
The canonical SMILES for 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene is CC(C)C/C=C\c1ccccc1F.
What is the InChIKey of 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene?
The InChIKey is OECLAIXLBABSHB-YVMONPNESA-N. The full InChI is InChI=1S/C12H15F/c1-10(2)6-5-8-11-7-3-4-9-12(11)13/h3-5,7-10H,6H2,1-2H3/b8-5-.
What are the key properties of 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene?
1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene has a molecular weight of 178.25 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(Z)-4-methylpent-1-enyl]benzene is sourced from PubChem (CID 84820301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).