N,1,1,2,2,2-hexafluoroethanesulfonamide

C2HF6NO2S — CID 87788327

IUPACN,1,1,2,2,2-hexafluoroethanesulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF6NO2S/c3-1(4,5)2(6,7)12(10,11)9-8/h9H
InChIKeyIWNGKGJOOLMUMM-UHFFFAOYSA-N
MW217.09 g/mol
LogP0.95
Rot. Bonds2

About N,1,1,2,2,2-hexafluoroethanesulfonamide

N,1,1,2,2,2-hexafluoroethanesulfonamide (PubChem CID 87788327) has the molecular formula C2HF6NO2S and a molecular weight of 217.09 g/mol. Its IUPAC name is N,1,1,2,2,2-hexafluoroethanesulfonamide.

Molecular Properties

Compound NameN,1,1,2,2,2-hexafluoroethanesulfonamide
PubChem CID87788327
Molecular FormulaC2HF6NO2S
Molecular Weight217.09 g/mol
Exact Mass216.96
IUPAC NameN,1,1,2,2,2-hexafluoroethanesulfonamide
SMILESO=S(=O)(NF)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF6NO2S/c3-1(4,5)2(6,7)12(10,11)9-8/h9H
InChIKeyIWNGKGJOOLMUMM-UHFFFAOYSA-N
XLogP0.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.09
LogP ≤ 50.95
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N,1,1,2,2,2-hexafluoroethanesulfonamide?
The IUPAC name of N,1,1,2,2,2-hexafluoroethanesulfonamide (CID 87788327) is N,1,1,2,2,2-hexafluoroethanesulfonamide.
What is the SMILES notation for N,1,1,2,2,2-hexafluoroethanesulfonamide?
The canonical SMILES for N,1,1,2,2,2-hexafluoroethanesulfonamide is O=S(=O)(NF)C(F)(F)C(F)(F)F.
What is the InChIKey of N,1,1,2,2,2-hexafluoroethanesulfonamide?
The InChIKey is IWNGKGJOOLMUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NO2S/c3-1(4,5)2(6,7)12(10,11)9-8/h9H.
What are the key properties of N,1,1,2,2,2-hexafluoroethanesulfonamide?
N,1,1,2,2,2-hexafluoroethanesulfonamide has a molecular weight of 217.09 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,1,2,2,2-hexafluoroethanesulfonamide is sourced from PubChem (CID 87788327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).