1-ethylsulfanyl-2,3-difluoropropane

C5H10F2S — CID 59155139

IUPAC1-ethylsulfanyl-2,3-difluoropropane
SMILESCCSCC(F)CF
InChIInChI=1S/C5H10F2S/c1-2-8-4-5(7)3-6/h5H,2-4H2,1H3
InChIKeyJHDJSJPKXZZETN-UHFFFAOYSA-N
MW140.20 g/mol
LogP2.05
Rot. Bonds4

About 1-ethylsulfanyl-2,3-difluoropropane

1-ethylsulfanyl-2,3-difluoropropane (PubChem CID 59155139) has the molecular formula C5H10F2S and a molecular weight of 140.20 g/mol. Its IUPAC name is 1-ethylsulfanyl-2,3-difluoropropane.

Molecular Properties

Compound Name1-ethylsulfanyl-2,3-difluoropropane
PubChem CID59155139
Molecular FormulaC5H10F2S
Molecular Weight140.20 g/mol
Exact Mass140.05
IUPAC Name1-ethylsulfanyl-2,3-difluoropropane
SMILESCCSCC(F)CF
InChIInChI=1S/C5H10F2S/c1-2-8-4-5(7)3-6/h5H,2-4H2,1H3
InChIKeyJHDJSJPKXZZETN-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethylsulfanyl-2,3-difluoropropane 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-ethylsulfanyl-2,3-difluoropropane?
The IUPAC name of 1-ethylsulfanyl-2,3-difluoropropane (CID 59155139) is 1-ethylsulfanyl-2,3-difluoropropane.
What is the SMILES notation for 1-ethylsulfanyl-2,3-difluoropropane?
The canonical SMILES for 1-ethylsulfanyl-2,3-difluoropropane is CCSCC(F)CF.
What is the InChIKey of 1-ethylsulfanyl-2,3-difluoropropane?
The InChIKey is JHDJSJPKXZZETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2S/c1-2-8-4-5(7)3-6/h5H,2-4H2,1H3.
What are the key properties of 1-ethylsulfanyl-2,3-difluoropropane?
1-ethylsulfanyl-2,3-difluoropropane has a molecular weight of 140.20 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-2,3-difluoropropane is sourced from PubChem (CID 59155139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).