N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide

C6H8F5NO2S — CID 129294993

IUPACN-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h2-3,12H,4H2,1H3/b3-2+
InChIKeyHKBCTXXOCSYKNH-NSCUHMNNSA-N
MW253.19 g/mol
LogP1.64
Rot. Bonds4

About N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide

N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide (PubChem CID 129294993) has the molecular formula C6H8F5NO2S and a molecular weight of 253.19 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide
PubChem CID129294993
Molecular FormulaC6H8F5NO2S
Molecular Weight253.19 g/mol
Exact Mass253.02
IUPAC NameN-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide
SMILESC/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H8F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h2-3,12H,4H2,1H3/b3-2+
InChIKeyHKBCTXXOCSYKNH-NSCUHMNNSA-N
XLogP1.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The IUPAC name of N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide (CID 129294993) is N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide is C/C=C/CNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
The InChIKey is HKBCTXXOCSYKNH-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H8F5NO2S/c1-2-3-4-12-15(13,14)6(10,11)5(7,8)9/h2-3,12H,4H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide?
N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide has a molecular weight of 253.19 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1,1,2,2,2-pentafluoroethanesulfonamide is sourced from PubChem (CID 129294993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).