2,2,5-trifluoro-3-methylthiolane

C5H7F3S — CID 66729844

IUPAC2,2,5-trifluoro-3-methylthiolane
SMILESCC1CC(F)SC1(F)F
InChIInChI=1S/C5H7F3S/c1-3-2-4(6)9-5(3,7)8/h3-4H,2H2,1H3
InChIKeySHNSABBOGIDJNG-UHFFFAOYSA-N
MW156.17 g/mol
LogP2.65
Rot. Bonds

About 2,2,5-trifluoro-3-methylthiolane

2,2,5-trifluoro-3-methylthiolane (PubChem CID 66729844) has the molecular formula C5H7F3S and a molecular weight of 156.17 g/mol. Its IUPAC name is 2,2,5-trifluoro-3-methylthiolane.

Molecular Properties

Compound Name2,2,5-trifluoro-3-methylthiolane
PubChem CID66729844
Molecular FormulaC5H7F3S
Molecular Weight156.17 g/mol
Exact Mass156.02
IUPAC Name2,2,5-trifluoro-3-methylthiolane
SMILESCC1CC(F)SC1(F)F
InChIInChI=1S/C5H7F3S/c1-3-2-4(6)9-5(3,7)8/h3-4H,2H2,1H3
InChIKeySHNSABBOGIDJNG-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trifluoro-3-methylthiolane?
The IUPAC name of 2,2,5-trifluoro-3-methylthiolane (CID 66729844) is 2,2,5-trifluoro-3-methylthiolane.
What is the SMILES notation for 2,2,5-trifluoro-3-methylthiolane?
The canonical SMILES for 2,2,5-trifluoro-3-methylthiolane is CC1CC(F)SC1(F)F.
What is the InChIKey of 2,2,5-trifluoro-3-methylthiolane?
The InChIKey is SHNSABBOGIDJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3S/c1-3-2-4(6)9-5(3,7)8/h3-4H,2H2,1H3.
What are the key properties of 2,2,5-trifluoro-3-methylthiolane?
2,2,5-trifluoro-3-methylthiolane has a molecular weight of 156.17 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trifluoro-3-methylthiolane is sourced from PubChem (CID 66729844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).