N,N,1,1,2,2,2-heptafluoroethanesulfonamide

C2F7NO2S — CID 87765728

IUPACN,N,1,1,2,2,2-heptafluoroethanesulfonamide
SMILESO=S(=O)(N(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C2F7NO2S/c3-1(4,5)2(6,7)13(11,12)10(8)9
InChIKeyAZCIYPHMAFQIMJ-UHFFFAOYSA-N
MW235.08 g/mol
LogP1.54
Rot. Bonds2

About N,N,1,1,2,2,2-heptafluoroethanesulfonamide

N,N,1,1,2,2,2-heptafluoroethanesulfonamide (PubChem CID 87765728) has the molecular formula C2F7NO2S and a molecular weight of 235.08 g/mol. Its IUPAC name is N,N,1,1,2,2,2-heptafluoroethanesulfonamide.

Molecular Properties

Compound NameN,N,1,1,2,2,2-heptafluoroethanesulfonamide
PubChem CID87765728
Molecular FormulaC2F7NO2S
Molecular Weight235.08 g/mol
Exact Mass234.95
IUPAC NameN,N,1,1,2,2,2-heptafluoroethanesulfonamide
SMILESO=S(=O)(N(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C2F7NO2S/c3-1(4,5)2(6,7)13(11,12)10(8)9
InChIKeyAZCIYPHMAFQIMJ-UHFFFAOYSA-N
XLogP1.54
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-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
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfonamide
CID 12522024
Fluoro 1,1,2,2,2-pentafluoroethanesulfonate
CID 17764680
N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 22033855
Pentafluoroethanesulfonate
CID 22062497
N,N,1,1,2,2,3,3,4,4,4-undecafluorobutane-1-sulfonamide
CID 53849119
FTNTf2
CID 59148743
N,N,1,1,1,2,3,3,3-nonafluoropropane-2-sulfonamide
CID 87638806
N,1,1,2,2,2-hexafluoroethanesulfonamide
CID 87788327
CID 87905698
CID 87905698
Sodium;1,1,2,2,2-pentafluoroethylsulfonylazanide
CID 140191989

Frequently Asked Questions

What is the IUPAC name of N,N,1,1,2,2,2-heptafluoroethanesulfonamide?
The IUPAC name of N,N,1,1,2,2,2-heptafluoroethanesulfonamide (CID 87765728) is N,N,1,1,2,2,2-heptafluoroethanesulfonamide.
What is the SMILES notation for N,N,1,1,2,2,2-heptafluoroethanesulfonamide?
The canonical SMILES for N,N,1,1,2,2,2-heptafluoroethanesulfonamide is O=S(=O)(N(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of N,N,1,1,2,2,2-heptafluoroethanesulfonamide?
The InChIKey is AZCIYPHMAFQIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F7NO2S/c3-1(4,5)2(6,7)13(11,12)10(8)9.
What are the key properties of N,N,1,1,2,2,2-heptafluoroethanesulfonamide?
N,N,1,1,2,2,2-heptafluoroethanesulfonamide has a molecular weight of 235.08 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1,2,2,2-heptafluoroethanesulfonamide is sourced from PubChem (CID 87765728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).