N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide

C8H12F3NO — CID 172579580

IUPACN,2-dimethyl-4-(trifluoromethyl)pent-4-enamide
SMILESC=C(CC(C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h5H,2,4H2,1,3H3,(H,12,13)
InChIKeyROAVKBKHWIYCLC-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.88
Rot. Bonds3

About N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide

N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide (PubChem CID 172579580) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(trifluoromethyl)pent-4-enamide
PubChem CID172579580
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN,2-dimethyl-4-(trifluoromethyl)pent-4-enamide
SMILESC=C(CC(C)C(=O)NC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h5H,2,4H2,1,3H3,(H,12,13)
InChIKeyROAVKBKHWIYCLC-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.88
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

4-methyl-N-(2,2,2-trifluoroethyl)pent-4-enamide
CID 123886439
N-(2,2-difluoroethyl)-3-methylidenecyclobutane-1-carboxamide
CID 53484589
N-methyl-5-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 154533267
4-(fluoromethyl)-N-methylpent-4-enamide
CID 177050196
5,5,5-trifluoro-N,4-dimethyl-2-methylidenepentanamide
CID 177050353
5,5-difluoro-N-methyl-2-methylidenepentanamide
CID 177051474
N,3,5-trimethylhex-5-enamide
CID 87280957
N,4-dimethyl-2-methylidenepentanamide
CID 88585824
N,4-dimethyl-2-propylpent-4-enamide
CID 89102903
N,5-dimethyl-3-methylidenehexanamide
CID 132148935
N-methyl-2-prop-1-en-2-ylpentanamide
CID 149538385
N,4-dimethylhex-5-enamide
CID 155715427

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide?
The IUPAC name of N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide (CID 172579580) is N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide.
What is the SMILES notation for N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide?
The canonical SMILES for N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide is C=C(CC(C)C(=O)NC)C(F)(F)F.
What is the InChIKey of N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide?
The InChIKey is ROAVKBKHWIYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-5(7(13)12-3)4-6(2)8(9,10)11/h5H,2,4H2,1,3H3,(H,12,13).
What are the key properties of N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide?
N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide has a molecular weight of 195.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(trifluoromethyl)pent-4-enamide is sourced from PubChem (CID 172579580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).