2,2,3-trifluoro-4-methylthiolane

C5H7F3S — CID 66730063

IUPAC2,2,3-trifluoro-4-methylthiolane
SMILESCC1CSC(F)(F)C1F
InChIInChI=1S/C5H7F3S/c1-3-2-9-5(7,8)4(3)6/h3-4H,2H2,1H3
InChIKeyKETQFPMJLCDDEL-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.30
Rot. Bonds

About 2,2,3-trifluoro-4-methylthiolane

2,2,3-trifluoro-4-methylthiolane (PubChem CID 66730063) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-4-methylthiolane.

Molecular Properties

Compound Name2,2,3-trifluoro-4-methylthiolane
PubChem CID66730063
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2,2,3-trifluoro-4-methylthiolane
SMILESCC1CSC(F)(F)C1F
InChIInChI=1S/C5H7F3S/c1-3-2-9-5(7,8)4(3)6/h3-4H,2H2,1H3
InChIKeyKETQFPMJLCDDEL-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-4-methylthiolane?
The IUPAC name of 2,2,3-trifluoro-4-methylthiolane (CID 66730063) is 2,2,3-trifluoro-4-methylthiolane.
What is the SMILES notation for 2,2,3-trifluoro-4-methylthiolane?
The canonical SMILES for 2,2,3-trifluoro-4-methylthiolane is CC1CSC(F)(F)C1F.
What is the InChIKey of 2,2,3-trifluoro-4-methylthiolane?
The InChIKey is KETQFPMJLCDDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-3-2-9-5(7,8)4(3)6/h3-4H,2H2,1H3.
What are the key properties of 2,2,3-trifluoro-4-methylthiolane?
2,2,3-trifluoro-4-methylthiolane has a molecular weight of 156.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-4-methylthiolane is sourced from PubChem (CID 66730063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).