[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride

C6H6ClF3N2O2S — CID 131606659

IUPAC[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N2O2S/c7-15(13,14)3-5-1-2-12(11-5)4-6(8,9)10/h1-2H,3-4H2
InChIKeyUPKTWUKEAPGRGX-UHFFFAOYSA-N
MW262.64 g/mol
LogP1.51
Rot. Bonds3

About [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride

[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride (PubChem CID 131606659) has the molecular formula C6H6ClF3N2O2S and a molecular weight of 262.64 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride
PubChem CID131606659
Molecular FormulaC6H6ClF3N2O2S
Molecular Weight262.64 g/mol
Exact Mass261.98
IUPAC Name[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N2O2S/c7-15(13,14)3-5-1-2-12(11-5)4-6(8,9)10/h1-2H,3-4H2
InChIKeyUPKTWUKEAPGRGX-UHFFFAOYSA-N
XLogP1.51
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.64
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride?
The IUPAC name of [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride (CID 131606659) is [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1ccn(CC(F)(F)F)n1.
What is the InChIKey of [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride?
The InChIKey is UPKTWUKEAPGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N2O2S/c7-15(13,14)3-5-1-2-12(11-5)4-6(8,9)10/h1-2H,3-4H2.
What are the key properties of [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride?
[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride has a molecular weight of 262.64 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanesulfonyl chloride is sourced from PubChem (CID 131606659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).