1,1-difluoro-3-methylsulfanylprop-1-ene

C4H6F2S — CID 87187755

IUPAC1,1-difluoro-3-methylsulfanylprop-1-ene
SMILESCSCC=C(F)F
InChIInChI=1S/C4H6F2S/c1-7-3-2-4(5)6/h2H,3H2,1H3
InChIKeyJPZXSCUAXGUJKJ-UHFFFAOYSA-N
MW124.15 g/mol
LogP2.13
Rot. Bonds2

About 1,1-difluoro-3-methylsulfanylprop-1-ene

1,1-difluoro-3-methylsulfanylprop-1-ene (PubChem CID 87187755) has the molecular formula C4H6F2S and a molecular weight of 124.15 g/mol. Its IUPAC name is 1,1-difluoro-3-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name1,1-difluoro-3-methylsulfanylprop-1-ene
PubChem CID87187755
Molecular FormulaC4H6F2S
Molecular Weight124.15 g/mol
Exact Mass124.02
IUPAC Name1,1-difluoro-3-methylsulfanylprop-1-ene
SMILESCSCC=C(F)F
InChIInChI=1S/C4H6F2S/c1-7-3-2-4(5)6/h2H,3H2,1H3
InChIKeyJPZXSCUAXGUJKJ-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-3-methylsulfanylprop-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 1,1-difluoro-3-methylsulfanylprop-1-ene?
The IUPAC name of 1,1-difluoro-3-methylsulfanylprop-1-ene (CID 87187755) is 1,1-difluoro-3-methylsulfanylprop-1-ene.
What is the SMILES notation for 1,1-difluoro-3-methylsulfanylprop-1-ene?
The canonical SMILES for 1,1-difluoro-3-methylsulfanylprop-1-ene is CSCC=C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylsulfanylprop-1-ene?
The InChIKey is JPZXSCUAXGUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2S/c1-7-3-2-4(5)6/h2H,3H2,1H3.
What are the key properties of 1,1-difluoro-3-methylsulfanylprop-1-ene?
1,1-difluoro-3-methylsulfanylprop-1-ene has a molecular weight of 124.15 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylsulfanylprop-1-ene is sourced from PubChem (CID 87187755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).