2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane

C5H3F7S — CID 87128815

IUPAC2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
SMILESFC1CC(F)(C(F)(F)F)C(F)(F)S1
InChIInChI=1S/C5H3F7S/c6-2-1-3(7,4(8,9)10)5(11,12)13-2/h2H,1H2
InChIKeyRXAVYPRZKPHMGS-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.28
Rot. Bonds

About 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane

2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane (PubChem CID 87128815) has the molecular formula C5H3F7S and a molecular weight of 228.13 g/mol. Its IUPAC name is 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane.

Molecular Properties

Compound Name2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
PubChem CID87128815
Molecular FormulaC5H3F7S
Molecular Weight228.13 g/mol
Exact Mass227.98
IUPAC Name2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
SMILESFC1CC(F)(C(F)(F)F)C(F)(F)S1
InChIInChI=1S/C5H3F7S/c6-2-1-3(7,4(8,9)10)5(11,12)13-2/h2H,1H2
InChIKeyRXAVYPRZKPHMGS-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane?
The IUPAC name of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane (CID 87128815) is 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane.
What is the SMILES notation for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane?
The canonical SMILES for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane is FC1CC(F)(C(F)(F)F)C(F)(F)S1.
What is the InChIKey of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane?
The InChIKey is RXAVYPRZKPHMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7S/c6-2-1-3(7,4(8,9)10)5(11,12)13-2/h2H,1H2.
What are the key properties of 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane?
2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane has a molecular weight of 228.13 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane is sourced from PubChem (CID 87128815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).