difluoromethylsulfanylethane

C3H6F2S — CID 10855415

IUPACdifluoromethylsulfanylethane
SMILESCCSC(F)F
InChIInChI=1S/C3H6F2S/c1-2-6-3(4)5/h3H,2H2,1H3
InChIKeyJQQAYWSREAMVNR-UHFFFAOYSA-N
MW112.14 g/mol
LogP1.96
Rot. Bonds2

About difluoromethylsulfanylethane

difluoromethylsulfanylethane (PubChem CID 10855415) has the molecular formula C3H6F2S and a molecular weight of 112.14 g/mol. Its IUPAC name is difluoromethylsulfanylethane.

Molecular Properties

Compound Namedifluoromethylsulfanylethane
PubChem CID10855415
Molecular FormulaC3H6F2S
Molecular Weight112.14 g/mol
Exact Mass112.02
IUPAC Namedifluoromethylsulfanylethane
SMILESCCSC(F)F
InChIInChI=1S/C3H6F2S/c1-2-6-3(4)5/h3H,2H2,1H3
InChIKeyJQQAYWSREAMVNR-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of difluoromethylsulfanylethane?
The IUPAC name of difluoromethylsulfanylethane (CID 10855415) is difluoromethylsulfanylethane.
What is the SMILES notation for difluoromethylsulfanylethane?
The canonical SMILES for difluoromethylsulfanylethane is CCSC(F)F.
What is the InChIKey of difluoromethylsulfanylethane?
The InChIKey is JQQAYWSREAMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2S/c1-2-6-3(4)5/h3H,2H2,1H3.
What are the key properties of difluoromethylsulfanylethane?
difluoromethylsulfanylethane has a molecular weight of 112.14 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylsulfanylethane is sourced from PubChem (CID 10855415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).