2,3-difluoro-4-methylthiolane

C5H8F2S — CID 66730014

IUPAC2,3-difluoro-4-methylthiolane
SMILESCC1CSC(F)C1F
InChIInChI=1S/C5H8F2S/c1-3-2-8-5(7)4(3)6/h3-5H,2H2,1H3
InChIKeyXNAOUEUFZRKQDS-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.00
Rot. Bonds

About 2,3-difluoro-4-methylthiolane

2,3-difluoro-4-methylthiolane (PubChem CID 66730014) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 2,3-difluoro-4-methylthiolane.

Molecular Properties

Compound Name2,3-difluoro-4-methylthiolane
PubChem CID66730014
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name2,3-difluoro-4-methylthiolane
SMILESCC1CSC(F)C1F
InChIInChI=1S/C5H8F2S/c1-3-2-8-5(7)4(3)6/h3-5H,2H2,1H3
InChIKeyXNAOUEUFZRKQDS-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-methylthiolane?
The IUPAC name of 2,3-difluoro-4-methylthiolane (CID 66730014) is 2,3-difluoro-4-methylthiolane.
What is the SMILES notation for 2,3-difluoro-4-methylthiolane?
The canonical SMILES for 2,3-difluoro-4-methylthiolane is CC1CSC(F)C1F.
What is the InChIKey of 2,3-difluoro-4-methylthiolane?
The InChIKey is XNAOUEUFZRKQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-3-2-8-5(7)4(3)6/h3-5H,2H2,1H3.
What are the key properties of 2,3-difluoro-4-methylthiolane?
2,3-difluoro-4-methylthiolane has a molecular weight of 138.18 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-methylthiolane is sourced from PubChem (CID 66730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).