2,2,2-trifluoroethane-1,1-disulfonamide

C2H5F3N2O4S2 — CID 22967973

IUPAC2,2,2-trifluoroethane-1,1-disulfonamide
SMILESNS(=O)(=O)C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C2H5F3N2O4S2/c3-2(4,5)1(12(6,8)9)13(7,10)11/h1H,(H2,6,8,9)(H2,7,10,11)
InChIKeyNHWPBPQPWFCHRH-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.55
Rot. Bonds2

About 2,2,2-trifluoroethane-1,1-disulfonamide

2,2,2-trifluoroethane-1,1-disulfonamide (PubChem CID 22967973) has the molecular formula C2H5F3N2O4S2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,2,2-trifluoroethane-1,1-disulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoroethane-1,1-disulfonamide
PubChem CID22967973
Molecular FormulaC2H5F3N2O4S2
Molecular Weight242.20 g/mol
Exact Mass241.96
IUPAC Name2,2,2-trifluoroethane-1,1-disulfonamide
SMILESNS(=O)(=O)C(C(F)(F)F)S(N)(=O)=O
InChIInChI=1S/C2H5F3N2O4S2/c3-2(4,5)1(12(6,8)9)13(7,10)11/h1H,(H2,6,8,9)(H2,7,10,11)
InChIKeyNHWPBPQPWFCHRH-UHFFFAOYSA-N
XLogP-1.55
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoroethane-1-sulfonamide
CID 21265546
3,3,3-Trifluoropropane-1-sulfonamide
CID 45790444
2,2-Difluoroethane-1-sulfonamide
CID 50989787
Bis(2,2,2-trifluoroethylsulfonylamino)mercury
CID 23262798
N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 18352286
[S-(difluoromethyl)-N-(2,2,2-trifluoroethylsulfonyl)sulfonimidoyl] hypofluorite
CID 20705435
2,2,2-trifluoro-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 22061690
1,2,2-Trifluoroethanesulfonamide
CID 22935181
1,2,2,2-tetrafluoro-N-(1,2,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 53348267
Ethylsulfonyl(2,2,2-trifluoroethylsulfonyl)azanide
CID 58352251
N-ethylsulfonyl-2,2,2-trifluoroethanesulfonamide
CID 58352252
2,2,2-Trifluoroethylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59015592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethane-1,1-disulfonamide?
The IUPAC name of 2,2,2-trifluoroethane-1,1-disulfonamide (CID 22967973) is 2,2,2-trifluoroethane-1,1-disulfonamide.
What is the SMILES notation for 2,2,2-trifluoroethane-1,1-disulfonamide?
The canonical SMILES for 2,2,2-trifluoroethane-1,1-disulfonamide is NS(=O)(=O)C(C(F)(F)F)S(N)(=O)=O.
What is the InChIKey of 2,2,2-trifluoroethane-1,1-disulfonamide?
The InChIKey is NHWPBPQPWFCHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3N2O4S2/c3-2(4,5)1(12(6,8)9)13(7,10)11/h1H,(H2,6,8,9)(H2,7,10,11).
What are the key properties of 2,2,2-trifluoroethane-1,1-disulfonamide?
2,2,2-trifluoroethane-1,1-disulfonamide has a molecular weight of 242.20 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethane-1,1-disulfonamide is sourced from PubChem (CID 22967973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).