(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide

C10H16F3NO — CID 88970851

IUPAC(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)NC(=O)/C=C(/C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5-
InChIKeyYXOHYAHSHYKKPZ-YVMONPNESA-N
MW223.24 g/mol
LogP2.66
Rot. Bonds3

About (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide

(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide (PubChem CID 88970851) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide.

Molecular Properties

Compound Name(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
PubChem CID88970851
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
SMILESCC(C)NC(=O)/C=C(/C(C)C)C(F)(F)F
InChIInChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5-
InChIKeyYXOHYAHSHYKKPZ-YVMONPNESA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
2,2,2-trifluoro-N-[(E)-4-methylpent-2-enyl]acetamide
CID 22418689
2,2,2-trifluoro-N-(4-methylpent-2-enyl)acetamide
CID 54345745
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-2,5-diene-1-carboxamide
CID 68952769
(E)-3-cyclopropyl-4,4,4-trifluoro-N-propan-2-ylbut-2-enamide
CID 70856669
(E)-3-cyclopropyl-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 70856678
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 87633414
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,2,2-trifluoroacetamide
CID 88406802
(E)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide
CID 88970850
(Z)-4,4,4-trifluoro-3-methyl-N-propan-2-ylbut-2-enamide
CID 88970861
(Z)-N-tert-butyl-4-methyl-3-(trifluoromethyl)pent-2-enamide
CID 89027815
(E)-4,4,4-trifluoro-3-methyl-N-propan-2-ylbut-2-enamide
CID 89037402

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The IUPAC name of (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide (CID 88970851) is (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide.
What is the SMILES notation for (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The canonical SMILES for (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide is CC(C)NC(=O)/C=C(/C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
The InChIKey is YXOHYAHSHYKKPZ-YVMONPNESA-N. The full InChI is InChI=1S/C10H16F3NO/c1-6(2)8(10(11,12)13)5-9(15)14-7(3)4/h5-7H,1-4H3,(H,14,15)/b8-5-.
What are the key properties of (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide?
(Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide has a molecular weight of 223.24 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-propan-2-yl-3-(trifluoromethyl)pent-2-enamide is sourced from PubChem (CID 88970851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).