1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide

C3H4F6N2O4S2 — CID 87361345

IUPAC1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H4F6N2O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15/h(H2,10,12,13)(H2,11,14,15)
InChIKeyQVQXFANMXFFEOB-UHFFFAOYSA-N
MW310.20 g/mol
LogP-0.62
Rot. Bonds3

About 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide

1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide (PubChem CID 87361345) has the molecular formula C3H4F6N2O4S2 and a molecular weight of 310.20 g/mol. Its IUPAC name is 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide.

Molecular Properties

Compound Name1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
PubChem CID87361345
Molecular FormulaC3H4F6N2O4S2
Molecular Weight310.20 g/mol
Exact Mass309.95
IUPAC Name1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide
SMILESNS(=O)(=O)C(F)(C(F)(F)C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H4F6N2O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15/h(H2,10,12,13)(H2,11,14,15)
InChIKeyQVQXFANMXFFEOB-UHFFFAOYSA-N
XLogP-0.62
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1,1-disulfonamide
CID 87586579
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecane-1-sulfonamide
CID 21267702
azane;bis(trifluoromethanesulfonamide)
CID 171927833
indigane;trifluoromethanesulfonamide
CID 174794253
CID 87103721
CID 87103721
CID 87784182
CID 87784182
CID 173133738
CID 173133738
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 175057047
calcium;hydride;trifluoromethanesulfonamide
CID 175005756
1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
CID 138683486
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosylsulfonyl 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,23-heptatetracontafluorotricosane-1-sulfonate
CID 88836150
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
CID 87936901

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide?
The IUPAC name of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide (CID 87361345) is 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide.
What is the SMILES notation for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide?
The canonical SMILES for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide is NS(=O)(=O)C(F)(C(F)(F)C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide?
The InChIKey is QVQXFANMXFFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F6N2O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15/h(H2,10,12,13)(H2,11,14,15).
What are the key properties of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide?
1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide has a molecular weight of 310.20 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonamide is sourced from PubChem (CID 87361345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).