1-fluoro-3-prop-1-en-2-ylbenzene

C9H9F — CID 6432396

IUPAC1-fluoro-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(F)c1
InChIInChI=1S/C9H9F/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
InChIKeyRSKZYVKOUASPDU-UHFFFAOYSA-N
MW136.17 g/mol
LogP2.86
Rot. Bonds1

About 1-fluoro-3-prop-1-en-2-ylbenzene

1-fluoro-3-prop-1-en-2-ylbenzene (PubChem CID 6432396) has the molecular formula C9H9F and a molecular weight of 136.17 g/mol. Its IUPAC name is 1-fluoro-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-fluoro-3-prop-1-en-2-ylbenzene
PubChem CID6432396
Molecular FormulaC9H9F
Molecular Weight136.17 g/mol
Exact Mass136.07
IUPAC Name1-fluoro-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(F)c1
InChIInChI=1S/C9H9F/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3
InChIKeyRSKZYVKOUASPDU-UHFFFAOYSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-3-prop-1-en-2-ylbenzene 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-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-fluoro-3-prop-1-en-2-ylbenzene (CID 6432396) is 1-fluoro-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-fluoro-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-fluoro-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-prop-1-en-2-ylbenzene?
The InChIKey is RSKZYVKOUASPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F/c1-7(2)8-4-3-5-9(10)6-8/h3-6H,1H2,2H3.
What are the key properties of 1-fluoro-3-prop-1-en-2-ylbenzene?
1-fluoro-3-prop-1-en-2-ylbenzene has a molecular weight of 136.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 6432396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).