3,3-difluoro-4-methylthiolane

C5H8F2S — CID 66729839

IUPAC3,3-difluoro-4-methylthiolane
SMILESCC1CSCC1(F)F
InChIInChI=1S/C5H8F2S/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyCVHACFXLYLVERL-UHFFFAOYSA-N
MW138.18 g/mol
LogP2.00
Rot. Bonds

About 3,3-difluoro-4-methylthiolane

3,3-difluoro-4-methylthiolane (PubChem CID 66729839) has the molecular formula C5H8F2S and a molecular weight of 138.18 g/mol. Its IUPAC name is 3,3-difluoro-4-methylthiolane.

Molecular Properties

Compound Name3,3-difluoro-4-methylthiolane
PubChem CID66729839
Molecular FormulaC5H8F2S
Molecular Weight138.18 g/mol
Exact Mass138.03
IUPAC Name3,3-difluoro-4-methylthiolane
SMILESCC1CSCC1(F)F
InChIInChI=1S/C5H8F2S/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3
InChIKeyCVHACFXLYLVERL-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 3,3-difluoro-4-methylthiolane?
The IUPAC name of 3,3-difluoro-4-methylthiolane (CID 66729839) is 3,3-difluoro-4-methylthiolane.
What is the SMILES notation for 3,3-difluoro-4-methylthiolane?
The canonical SMILES for 3,3-difluoro-4-methylthiolane is CC1CSCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methylthiolane?
The InChIKey is CVHACFXLYLVERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2S/c1-4-2-8-3-5(4,6)7/h4H,2-3H2,1H3.
What are the key properties of 3,3-difluoro-4-methylthiolane?
3,3-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 3,3-difluoro-4-methylthiolane is sourced from PubChem (CID 66729839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).