1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide

C3HF8NO2S — CID 87836872

IUPAC1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide
SMILESO=S(=O)(NC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF8NO2S/c4-1(5,6)2(7,8)15(13,14)12-3(9,10)11/h12H
InChIKeyNWKBVUVSMTWIDG-UHFFFAOYSA-N
MW267.10 g/mol
LogP1.58
Rot. Bonds2

About 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide (PubChem CID 87836872) has the molecular formula C3HF8NO2S and a molecular weight of 267.10 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide
PubChem CID87836872
Molecular FormulaC3HF8NO2S
Molecular Weight267.10 g/mol
Exact Mass266.96
IUPAC Name1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide
SMILESO=S(=O)(NC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C3HF8NO2S/c4-1(5,6)2(7,8)15(13,14)12-3(9,10)11/h12H
InChIKeyNWKBVUVSMTWIDG-UHFFFAOYSA-N
XLogP1.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentafluoroethanesulfonamide
CID 11252905
Heptafluoropropane-1-sulfonamide
CID 21692167
1,1,1-trifluoro-N-(trifluoromethyl)methanesulfonamide
CID 57280244
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
2-Amino-1,1,2,2-tetrafluoroethanesulfonamide
CID 87658444
1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide
CID 87689258
N,1,1,2,2,2-hexafluoroethanesulfonamide
CID 87788327
CID 87905698
CID 87905698
Sodium;1,1,2,2,2-pentafluoroethylsulfonylazanide
CID 140191989
Lithium;1,1,2,2,2-pentafluoroethylsulfonylazanide
CID 140191990
Potassium;1,1,2,2,2-pentafluoroethylsulfonylazanide
CID 140191991
1,1,2,2,2-pentafluoro-N-(fluoromethyl)ethanesulfonamide
CID 169796778

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide (CID 87836872) is 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide is O=S(=O)(NC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide?
The InChIKey is NWKBVUVSMTWIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF8NO2S/c4-1(5,6)2(7,8)15(13,14)12-3(9,10)11/h12H.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide has a molecular weight of 267.10 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-(trifluoromethyl)ethanesulfonamide is sourced from PubChem (CID 87836872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).