4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide

C8H12F3NO — CID 114618417

IUPAC4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)5-12-7(13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyPPWWHUDOCPXWLX-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds4

About 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide

4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide (PubChem CID 114618417) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide
PubChem CID114618417
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)5-12-7(13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyPPWWHUDOCPXWLX-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butylmethacrylamide
CID 9855497
N-(2-methylprop-2-enyl)butanamide
CID 114618786
N-(2,2,3,3,4,4,4-heptafluorobutyl)-2-methylprop-2-enamide
CID 2774888
2,2,2-trifluoro-N-(2-methylprop-2-enyl)acetamide
CID 18970244
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)prop-2-enamide
CID 21020691
2,2,2-trifluoro-N-[(E)-2-methylbut-2-enyl]acetamide
CID 21042362
2-methyl-N-(3,3,4,4,4-pentafluorobutyl)prop-2-enamide
CID 54438362
N-(2,2,2-Trifluoroethyl)methacrylamide
CID 54450429
2-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464913
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)prop-2-enamide
CID 59860414
4,4,4-trifluoro-N-prop-2-enylbutanamide
CID 65710764
4,4,4-trifluoro-N-(2-methylpropyl)butanamide
CID 65710766

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide (CID 114618417) is 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide is C=C(C)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is PPWWHUDOCPXWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(2)5-12-7(13)3-4-8(9,10)11/h1,3-5H2,2H3,(H,12,13).
What are the key properties of 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide?
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 195.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 114618417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).