2,2-difluoro-1-methylsulfanylpropane

C4H8F2S — CID 87799753

IUPAC2,2-difluoro-1-methylsulfanylpropane
SMILESCSCC(C)(F)F
InChIInChI=1S/C4H8F2S/c1-4(5,6)3-7-2/h3H2,1-2H3
InChIKeyAQDWBOFIYDGUEE-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.00
Rot. Bonds2

About 2,2-difluoro-1-methylsulfanylpropane

2,2-difluoro-1-methylsulfanylpropane (PubChem CID 87799753) has the molecular formula C4H8F2S and a molecular weight of 126.17 g/mol. Its IUPAC name is 2,2-difluoro-1-methylsulfanylpropane.

Molecular Properties

Compound Name2,2-difluoro-1-methylsulfanylpropane
PubChem CID87799753
Molecular FormulaC4H8F2S
Molecular Weight126.17 g/mol
Exact Mass126.03
IUPAC Name2,2-difluoro-1-methylsulfanylpropane
SMILESCSCC(C)(F)F
InChIInChI=1S/C4H8F2S/c1-4(5,6)3-7-2/h3H2,1-2H3
InChIKeyAQDWBOFIYDGUEE-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-1-methylsulfanylpropane 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 2,2-difluoro-1-methylsulfanylpropane?
The IUPAC name of 2,2-difluoro-1-methylsulfanylpropane (CID 87799753) is 2,2-difluoro-1-methylsulfanylpropane.
What is the SMILES notation for 2,2-difluoro-1-methylsulfanylpropane?
The canonical SMILES for 2,2-difluoro-1-methylsulfanylpropane is CSCC(C)(F)F.
What is the InChIKey of 2,2-difluoro-1-methylsulfanylpropane?
The InChIKey is AQDWBOFIYDGUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2S/c1-4(5,6)3-7-2/h3H2,1-2H3.
What are the key properties of 2,2-difluoro-1-methylsulfanylpropane?
2,2-difluoro-1-methylsulfanylpropane has a molecular weight of 126.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methylsulfanylpropane is sourced from PubChem (CID 87799753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).