N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide

C15H22F3NO — CID 143497486

IUPACN-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide
SMILESC=C/C(=C\C=C/C)CCCN(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-7-9-13(6-3)10-8-12-19(11-5-2)14(20)15(16,17)18/h4,6-7,9H,3,5,8,10-12H2,1-2H3/b7-4-,13-9+
InChIKeyHDULVICDYKFUTK-RYCYKMFZSA-N
MW289.34 g/mol
LogP4.26
Rot. Bonds8

About N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide

N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide (PubChem CID 143497486) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide.

Molecular Properties

Compound NameN-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide
PubChem CID143497486
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC NameN-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide
SMILESC=C/C(=C\C=C/C)CCCN(CCC)C(=O)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-4-7-9-13(6-3)10-8-12-19(11-5-2)14(20)15(16,17)18/h4,6-7,9H,3,5,8,10-12H2,1-2H3/b7-4-,13-9+
InChIKeyHDULVICDYKFUTK-RYCYKMFZSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-Ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one
CID 86093580
2,2,2-trifluoro-N-[(3E)-hexa-3,5-dienyl]-N-hex-1-ynylacetamide
CID 134894018
1-(4-Ethylidene-3-methylidenepiperidin-1-yl)-2,2,2-trifluoroethanone
CID 123837083
(2Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-piperidin-1-ylhexa-2,5-dien-1-one
CID 129084636
1-[4-fluoro-4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-1-yl]ethanone
CID 130217046
N-[5-ethenyl-3-methyl-7-(trifluoromethyl)nona-6,8-dienyl]-N-ethylpentanamide
CID 136500989
4,4,4-trifluoro-1-[4-fluoro-4-[(1E,3E)-3-(trifluoromethyl)penta-1,3-dienyl]piperidin-1-yl]butan-1-one
CID 137509131
2,2,2-trifluoro-N-[(4E,8E,12E,16E,20E)-4,8,12,17,21,25-hexamethylhexacosa-4,8,12,16,20,24-hexaenyl]-N-methylacetamide
CID 140918477
ethane;(3Z,5Z)-4-ethylocta-1,3,5,7-tetraene;2,2,2-trifluoro-N,N-dimethylacetamide
CID 142047078
1-[4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-1-one
CID 142161962
4,4,4-trifluoro-1-[4-fluoro-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperidin-1-yl]butan-1-one
CID 142529723
N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
CID 142910900

Frequently Asked Questions

What is the IUPAC name of N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide?
The IUPAC name of N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide (CID 143497486) is N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide.
What is the SMILES notation for N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide?
The canonical SMILES for N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide is C=C/C(=C\C=C/C)CCCN(CCC)C(=O)C(F)(F)F.
What is the InChIKey of N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide?
The InChIKey is HDULVICDYKFUTK-RYCYKMFZSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-7-9-13(6-3)10-8-12-19(11-5-2)14(20)15(16,17)18/h4,6-7,9H,3,5,8,10-12H2,1-2H3/b7-4-,13-9+.
What are the key properties of N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide?
N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide has a molecular weight of 289.34 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,6Z)-4-ethenylocta-4,6-dienyl]-2,2,2-trifluoro-N-propylacetamide is sourced from PubChem (CID 143497486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).