3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

C8H9F3N2O2S — CID 66014324

IUPAC3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-16(14,15)5-6/h1,3,6H,2,4-5H2
InChIKeyFSVXWCOHFLPRFD-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.26
Rot. Bonds1

About 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide

3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (PubChem CID 66014324) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
PubChem CID66014324
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C8H9F3N2O2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-16(14,15)5-6/h1,3,6H,2,4-5H2
InChIKeyFSVXWCOHFLPRFD-UHFFFAOYSA-N
XLogP1.26
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The IUPAC name of 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide (CID 66014324) is 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide.
What is the SMILES notation for 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The canonical SMILES for 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is O=S1(=O)CCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
The InChIKey is FSVXWCOHFLPRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-8(10,11)7-1-3-13(12-7)6-2-4-16(14,15)5-6/h1,3,6H,2,4-5H2.
What are the key properties of 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide?
3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide has a molecular weight of 254.23 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)pyrazol-1-yl]thiolane 1,1-dioxide is sourced from PubChem (CID 66014324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).