2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide

C8H10F5NO — CID 54438362

IUPAC2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-5(2)6(15)14-4-3-7(9,10)8(11,12)13/h1,3-4H2,2H3,(H,14,15)
InChIKeyWMIAHLAMDVCWMF-UHFFFAOYSA-N
MW231.16 g/mol
LogP2.27
Rot. Bonds4

About 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide

2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide (PubChem CID 54438362) has the molecular formula C8H10F5NO and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
PubChem CID54438362
Molecular FormulaC8H10F5NO
Molecular Weight231.16 g/mol
Exact Mass231.07
IUPAC Name2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
SMILESC=C(C)C(=O)NCCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5NO/c1-5(2)6(15)14-4-3-7(9,10)8(11,12)13/h1,3-4H2,2H3,(H,14,15)
InChIKeyWMIAHLAMDVCWMF-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', '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-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide (CID 54438362) is 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide is C=C(C)C(=O)NCCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
The InChIKey is WMIAHLAMDVCWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5NO/c1-5(2)6(15)14-4-3-7(9,10)8(11,12)13/h1,3-4H2,2H3,(H,14,15).
What are the key properties of 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide?
2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide has a molecular weight of 231.16 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide is sourced from PubChem (CID 54438362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).