1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride

C5H5F3N2O2S — CID 165460480

IUPAC1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)cnn1C(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3
InChIKeyVMBADULUAPGTCJ-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.24
Rot. Bonds2

About 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride

1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride (PubChem CID 165460480) has the molecular formula C5H5F3N2O2S and a molecular weight of 214.17 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride.

Molecular Properties

Compound Name1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
PubChem CID165460480
Molecular FormulaC5H5F3N2O2S
Molecular Weight214.17 g/mol
Exact Mass214.00
IUPAC Name1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
SMILESCc1c(S(=O)(=O)F)cnn1C(F)F
InChIInChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3
InChIKeyVMBADULUAPGTCJ-UHFFFAOYSA-N
XLogP1.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The IUPAC name of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride (CID 165460480) is 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride.
What is the SMILES notation for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The canonical SMILES for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride is Cc1c(S(=O)(=O)F)cnn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
The InChIKey is VMBADULUAPGTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2O2S/c1-3-4(13(8,11)12)2-9-10(3)5(6)7/h2,5H,1H3.
What are the key properties of 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride?
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride has a molecular weight of 214.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride is sourced from PubChem (CID 165460480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).