1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride

C6H6F4N2O2S — CID 165459963

IUPAC1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride
SMILESCCn1ncc(C(F)(F)F)c1S(=O)(=O)F
InChIInChI=1S/C6H6F4N2O2S/c1-2-12-5(15(10,13)14)4(3-11-12)6(7,8)9/h3H,2H2,1H3
InChIKeyROGHMNFKDVVZRA-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.58
Rot. Bonds2

About 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride

1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride (PubChem CID 165459963) has the molecular formula C6H6F4N2O2S and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride
PubChem CID165459963
Molecular FormulaC6H6F4N2O2S
Molecular Weight246.19 g/mol
Exact Mass246.01
IUPAC Name1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride
SMILESCCn1ncc(C(F)(F)F)c1S(=O)(=O)F
InChIInChI=1S/C6H6F4N2O2S/c1-2-12-5(15(10,13)14)4(3-11-12)6(7,8)9/h3H,2H2,1H3
InChIKeyROGHMNFKDVVZRA-UHFFFAOYSA-N
XLogP1.58
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dimethyl-1H-pyrazole-5-sulfonyl chloride
CID 45923672
1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-sulfonyl chloride
CID 125426181
4-methyl-1-(propan-2-yl)-1H-pyrazole-5-sulfonyl chloride
CID 130118651
lithium(1+) 1-methyl-4-(trifluoromethyl)-1H-pyrazole-5-sulfinate
CID 137951459
1-ethyl-4-methyl-1H-pyrazole-5-sulfonyl chloride
CID 165798253
2-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570516
1-Ethyl-4-fluoro-pyrazole-3-sulfonamide
CID 146570546
1-(Difluoromethyl)-4-fluoropyrazole-3-sulfonamide
CID 146570733
1-(1,1-Difluoroethyl)-4-fluoropyrazole-3-sulfonamide
CID 146571427
4-Ethyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride
CID 164872091
4-Methyl-1-(2,2,2-trifluoroethyl)pyrazole-3-sulfonyl chloride
CID 164872258
1-(2,2-Difluoroethyl)-4-methylpyrazole-3-sulfonyl chloride
CID 164872308

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride (CID 165459963) is 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride is CCn1ncc(C(F)(F)F)c1S(=O)(=O)F.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride?
The InChIKey is ROGHMNFKDVVZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N2O2S/c1-2-12-5(15(10,13)14)4(3-11-12)6(7,8)9/h3H,2H2,1H3.
What are the key properties of 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride?
1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride has a molecular weight of 246.19 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)pyrazole-5-sulfonyl fluoride is sourced from PubChem (CID 165459963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).