5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole

C7H8F4N2O2S — CID 150815244

IUPAC5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCC(F)S(=O)(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F4N2O2S/c1-4(8)16(14,15)6-3-5(7(9,10)11)12-13(6)2/h3-4H,1-2H3
InChIKeyKISXJKYTQMTYEI-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.53
Rot. Bonds2

About 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole

5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 150815244) has the molecular formula C7H8F4N2O2S and a molecular weight of 260.21 g/mol. Its IUPAC name is 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID150815244
Molecular FormulaC7H8F4N2O2S
Molecular Weight260.21 g/mol
Exact Mass260.02
IUPAC Name5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCC(F)S(=O)(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C7H8F4N2O2S/c1-4(8)16(14,15)6-3-5(7(9,10)11)12-13(6)2/h3-4H,1-2H3
InChIKeyKISXJKYTQMTYEI-UHFFFAOYSA-N
XLogP1.53
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 150815244) is 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole is CC(F)S(=O)(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is KISXJKYTQMTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N2O2S/c1-4(8)16(14,15)6-3-5(7(9,10)11)12-13(6)2/h3-4H,1-2H3.
What are the key properties of 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 260.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethylsulfonyl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 150815244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).