1-fluoro-3-methylsulfonylprop-1-ene

C4H7FO2S — CID 173170471

IUPAC1-fluoro-3-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)CC=CF
InChIInChI=1S/C4H7FO2S/c1-8(6,7)4-2-3-5/h2-3H,4H2,1H3
InChIKeyNFLCHCKIAVYWJP-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.51
Rot. Bonds2

About 1-fluoro-3-methylsulfonylprop-1-ene

1-fluoro-3-methylsulfonylprop-1-ene (PubChem CID 173170471) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-fluoro-3-methylsulfonylprop-1-ene.

Molecular Properties

Compound Name1-fluoro-3-methylsulfonylprop-1-ene
PubChem CID173170471
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name1-fluoro-3-methylsulfonylprop-1-ene
SMILESCS(=O)(=O)CC=CF
InChIInChI=1S/C4H7FO2S/c1-8(6,7)4-2-3-5/h2-3H,4H2,1H3
InChIKeyNFLCHCKIAVYWJP-UHFFFAOYSA-N
XLogP0.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-fluoro-3-methylsulfonylprop-1-ene 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-methylsulfonylprop-1-ene?
The IUPAC name of 1-fluoro-3-methylsulfonylprop-1-ene (CID 173170471) is 1-fluoro-3-methylsulfonylprop-1-ene.
What is the SMILES notation for 1-fluoro-3-methylsulfonylprop-1-ene?
The canonical SMILES for 1-fluoro-3-methylsulfonylprop-1-ene is CS(=O)(=O)CC=CF.
What is the InChIKey of 1-fluoro-3-methylsulfonylprop-1-ene?
The InChIKey is NFLCHCKIAVYWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-8(6,7)4-2-3-5/h2-3H,4H2,1H3.
What are the key properties of 1-fluoro-3-methylsulfonylprop-1-ene?
1-fluoro-3-methylsulfonylprop-1-ene has a molecular weight of 138.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylsulfonylprop-1-ene is sourced from PubChem (CID 173170471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).