2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide

C7H8F5NO — CID 154322706

IUPAC2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide
SMILESCC=C(C)C(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c1-3-4(2)5(14)13-7(11,12)6(8,9)10/h3H,1-2H3,(H,13,14)
InChIKeyHJDIUNGGNHVWSU-UHFFFAOYSA-N
MW217.14 g/mol
LogP2.22
Rot. Bonds2

About 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide

2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide (PubChem CID 154322706) has the molecular formula C7H8F5NO and a molecular weight of 217.14 g/mol. Its IUPAC name is 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide
PubChem CID154322706
Molecular FormulaC7H8F5NO
Molecular Weight217.14 g/mol
Exact Mass217.05
IUPAC Name2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide
SMILESCC=C(C)C(=O)NC(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5NO/c1-3-4(2)5(14)13-7(11,12)6(8,9)10/h3H,1-2H3,(H,13,14)
InChIKeyHJDIUNGGNHVWSU-UHFFFAOYSA-N
XLogP2.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide?
The IUPAC name of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide (CID 154322706) is 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide?
The canonical SMILES for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide is CC=C(C)C(=O)NC(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide?
The InChIKey is HJDIUNGGNHVWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5NO/c1-3-4(2)5(14)13-7(11,12)6(8,9)10/h3H,1-2H3,(H,13,14).
What are the key properties of 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide?
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide has a molecular weight of 217.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,1,2,2,2-pentafluoroethyl)but-2-enamide is sourced from PubChem (CID 154322706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).