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

C3H4F6N2O4S2 — CID 138683486

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

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

1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide (PubChem CID 138683486) has the molecular formula C3H4F6N2O4S2 and a molecular weight of 310.20 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
PubChem CID138683486
Molecular FormulaC3H4F6N2O4S2
Molecular Weight310.20 g/mol
Exact Mass309.95
IUPAC Name1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C3H4F6N2O4S2/c4-1(2(5,6)7,16(10,12)13)3(8,9)17(11,14)15/h(H2,10,12,13)(H2,11,14,15)
InChIKeyCTWCQONUEHOJKP-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

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Related Compounds

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CID 162553244
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CID 171927833
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CID 174794253
CID 87103721
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CID 87784182
CID 87784182
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2,2-pentafluoroethylsulfonyl)propane
CID 22105014
ethanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide?
The IUPAC name of 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide (CID 138683486) is 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide?
The canonical SMILES for 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide is NS(=O)(=O)C(F)(F)C(F)(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide?
The InChIKey is CTWCQONUEHOJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F6N2O4S2/c4-1(2(5,6)7,16(10,12)13)3(8,9)17(11,14)15/h(H2,10,12,13)(H2,11,14,15).
What are the key properties of 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide?
1,1,2,3,3,3-hexafluoropropane-1,2-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 1,1,2,3,3,3-hexafluoropropane-1,2-disulfonamide is sourced from PubChem (CID 138683486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).