3,3-difluorothiolane;ethane

C6H12F2S — CID 170752732

IUPAC3,3-difluorothiolane;ethane
SMILESCC.FC1(F)CCSC1
InChIInChI=1S/C4H6F2S.C2H6/c5-4(6)1-2-7-3-4;1-2/h1-3H2;1-2H3
InChIKeyNNJJNQOJBHQTSG-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.78
Rot. Bonds

About 3,3-difluorothiolane;ethane

3,3-difluorothiolane;ethane (PubChem CID 170752732) has the molecular formula C6H12F2S and a molecular weight of 154.22 g/mol. Its IUPAC name is 3,3-difluorothiolane;ethane.

Molecular Properties

Compound Name3,3-difluorothiolane;ethane
PubChem CID170752732
Molecular FormulaC6H12F2S
Molecular Weight154.22 g/mol
Exact Mass154.06
IUPAC Name3,3-difluorothiolane;ethane
SMILESCC.FC1(F)CCSC1
InChIInChI=1S/C4H6F2S.C2H6/c5-4(6)1-2-7-3-4;1-2/h1-3H2;1-2H3
InChIKeyNNJJNQOJBHQTSG-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluorothiolane;ethane?
The IUPAC name of 3,3-difluorothiolane;ethane (CID 170752732) is 3,3-difluorothiolane;ethane.
What is the SMILES notation for 3,3-difluorothiolane;ethane?
The canonical SMILES for 3,3-difluorothiolane;ethane is CC.FC1(F)CCSC1.
What is the InChIKey of 3,3-difluorothiolane;ethane?
The InChIKey is NNJJNQOJBHQTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2S.C2H6/c5-4(6)1-2-7-3-4;1-2/h1-3H2;1-2H3.
What are the key properties of 3,3-difluorothiolane;ethane?
3,3-difluorothiolane;ethane has a molecular weight of 154.22 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorothiolane;ethane is sourced from PubChem (CID 170752732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).