4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide

C8H12F3NO — CID 123886439

IUPAC4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
SMILESC=C(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyAIYBXAIEHRWCRA-UHFFFAOYSA-N
MW195.18 g/mol
LogP2.02
Rot. Bonds4

About 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide

4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide (PubChem CID 123886439) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide.

Molecular Properties

Compound Name4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
PubChem CID123886439
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
SMILESC=C(C)CCC(=O)NCC(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h1,3-5H2,2H3,(H,12,13)
InChIKeyAIYBXAIEHRWCRA-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

2,2,2-trifluoro-N-hex-5-enylacetamide
CID 10488084
N-(5,5-difluoropentyl)-2-methylprop-2-enamide
CID 89332580
2-ethyl-N-(2,2,2-trifluoroethyl)but-3-enamide
CID 91227509
2,2,2-trifluoro-N-(3-methylbut-3-enyl)acetamide
CID 131165659
(2S)-2-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 138550312
N-(5,5,5-trifluoro-2-methylidenepentyl)acetamide
CID 138690569
9-(difluoromethylidene)-N-ethylundecanamide
CID 140016460
N-butan-2-yl-5,5,5-trifluoro-2-methylidenepentanamide
CID 164554142
2,2-difluoro-4-methyl-N,N-dipropylpent-4-enamide
CID 166658656
N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide
CID 53484589
N-(6,6-Difluorohex-5-EN-1-YL)acetamide
CID 71405596
4,4,4-trifluoro-N-(2-methylprop-2-enyl)butanamide
CID 114618417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide?
The IUPAC name of 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide (CID 123886439) is 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide.
What is the SMILES notation for 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide?
The canonical SMILES for 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide is C=C(C)CCC(=O)NCC(F)(F)F.
What is the InChIKey of 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide?
The InChIKey is AIYBXAIEHRWCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-6(2)3-4-7(13)12-5-8(9,10)11/h1,3-5H2,2H3,(H,12,13).
What are the key properties of 4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide?
4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide 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-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide is sourced from PubChem (CID 123886439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).