N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide

C14H22F3NO — CID 10016351

IUPACN-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)=CCC/C(C)=C/CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO/c1-11(2)7-5-8-12(3)9-6-10-18(4)13(19)14(15,16)17/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKeyJLLRMHXQBSATMI-FMIVXFBMSA-N
MW277.33 g/mol
LogP4.09
Rot. Bonds6

About N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide

N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide (PubChem CID 10016351) has the molecular formula C14H22F3NO and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide
PubChem CID10016351
Molecular FormulaC14H22F3NO
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide
SMILESCC(C)=CCC/C(C)=C/CCN(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3NO/c1-11(2)7-5-8-12(3)9-6-10-18(4)13(19)14(15,16)17/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChIKeyJLLRMHXQBSATMI-FMIVXFBMSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide (CID 10016351) is N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide is CC(C)=CCC/C(C)=C/CCN(C)C(=O)C(F)(F)F.
What is the InChIKey of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is JLLRMHXQBSATMI-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H22F3NO/c1-11(2)7-5-8-12(3)9-6-10-18(4)13(19)14(15,16)17/h7,9H,5-6,8,10H2,1-4H3/b12-9+.
What are the key properties of N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide?
N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 277.33 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 10016351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).