potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride

C3F4KN3O2S — CID 58361898

IUPACpotassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1nnc(C(F)(F)F)[n-]1.[K+]
InChIInChI=1S/C3F4N3O2S.K/c4-3(5,6)1-8-2(10-9-1)13(7,11)12;/q-1;+1
InChIKeyPTAXTWCMWDBXQC-UHFFFAOYSA-N
MW257.21 g/mol
LogP-2.89
Rot. Bonds1

About potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride

potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride (PubChem CID 58361898) has the molecular formula C3F4KN3O2S and a molecular weight of 257.21 g/mol. Its IUPAC name is potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride.

Molecular Properties

Compound Namepotassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride
PubChem CID58361898
Molecular FormulaC3F4KN3O2S
Molecular Weight257.21 g/mol
Exact Mass256.93
IUPAC Namepotassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride
SMILESO=S(=O)(F)c1nnc(C(F)(F)F)[n-]1.[K+]
InChIInChI=1S/C3F4N3O2S.K/c4-3(5,6)1-8-2(10-9-1)13(7,11)12;/q-1;+1
InChIKeyPTAXTWCMWDBXQC-UHFFFAOYSA-N
XLogP-2.89
TPSA74.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 5-2.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride?
The IUPAC name of potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride (CID 58361898) is potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride.
What is the SMILES notation for potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride?
The canonical SMILES for potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride is O=S(=O)(F)c1nnc(C(F)(F)F)[n-]1.[K+].
What is the InChIKey of potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride?
The InChIKey is PTAXTWCMWDBXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F4N3O2S.K/c4-3(5,6)1-8-2(10-9-1)13(7,11)12;/q-1;+1.
What are the key properties of potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride?
potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride has a molecular weight of 257.21 g/mol, XLogP of -2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene-3-sulfonyl fluoride is sourced from PubChem (CID 58361898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).