3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate

C3HF6NO4S2-2 — CID 58079131

IUPAC3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-]
InChIInChI=1S/C3H2F6NO4S2/c4-1(5,2(6,7)15(11)12)3(8,9)16(10,13)14/h(H2-,10,11,12,13,14)/q-1/p-1
InChIKeyQWLUWQBYEVSBKW-UHFFFAOYSA-M
MW293.17 g/mol
LogP1.07
Rot. Bonds4

About 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate

3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate (PubChem CID 58079131) has the molecular formula C3HF6NO4S2-2 and a molecular weight of 293.17 g/mol. Its IUPAC name is 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate.

Molecular Properties

Compound Name3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate
PubChem CID58079131
Molecular FormulaC3HF6NO4S2-2
Molecular Weight293.17 g/mol
Exact Mass292.93
IUPAC Name3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate
SMILES[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-]
InChIInChI=1S/C3H2F6NO4S2/c4-1(5,2(6,7)15(11)12)3(8,9)16(10,13)14/h(H2-,10,11,12,13,14)/q-1/p-1
InChIKeyQWLUWQBYEVSBKW-UHFFFAOYSA-M
XLogP1.07
TPSA98.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
1,1,2,2,3,3,4,4,4-Nonafluoro-N-((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)-1-butanesulfonamide
CID 10211210
1,1,2,2,3,3-Hexafluoropropane-1,3-disulfonimide
CID 11208600
Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-[(pentafluoroethyl)sulfonyl]-
CID 2779028
Bis(1,1,2,2,3,3,3-heptafluoro-1-propanesulfonyl)imide
CID 12167909
Octafluorobutane-1,4-disulfonamide
CID 11631855
Nonafluorobutylsulfonyl(trifluoromethylsulfonyl)amine
CID 11048287
Ammonium N,N-bis(perfluorobutanesulfonyl)amide
CID 11180926
Perfluoro-N-[(trifluoromethyl)sulfonyl]butanesulfonamide sodium salt
CID 138396263
Bis(perfluoroethylsulfonyl)imide
CID 4067273

Frequently Asked Questions

What is the IUPAC name of 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate?
The IUPAC name of 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate (CID 58079131) is 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate.
What is the SMILES notation for 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate?
The canonical SMILES for 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate is [NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)[O-].
What is the InChIKey of 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate?
The InChIKey is QWLUWQBYEVSBKW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H2F6NO4S2/c4-1(5,2(6,7)15(11)12)3(8,9)16(10,13)14/h(H2-,10,11,12,13,14)/q-1/p-1.
What are the key properties of 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate?
3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate has a molecular weight of 293.17 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate is sourced from PubChem (CID 58079131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).