(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide

C14H20F3NO — CID 162577249

IUPAC(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide
SMILESC=CC(C(=O)NC)C(CC/C=C\C(=C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-5-11(13(19)18-4)12(14(15,16)17)9-7-6-8-10(2)3/h5-6,8,11-12H,1-2,7,9H2,3-4H3,(H,18,19)/b8-6-
InChIKeyPTZJDXGBWMJHPC-VURMDHGXSA-N
MW275.31 g/mol
LogP3.63
Rot. Bonds7

About (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide

(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide (PubChem CID 162577249) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide.

Molecular Properties

Compound Name(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide
PubChem CID162577249
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide
SMILESC=CC(C(=O)NC)C(CC/C=C\C(=C)C)C(F)(F)F
InChIInChI=1S/C14H20F3NO/c1-5-11(13(19)18-4)12(14(15,16)17)9-7-6-8-10(2)3/h5-6,8,11-12H,1-2,7,9H2,3-4H3,(H,18,19)/b8-6-
InChIKeyPTZJDXGBWMJHPC-VURMDHGXSA-N
XLogP3.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide?
The IUPAC name of (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide (CID 162577249) is (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide.
What is the SMILES notation for (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide?
The canonical SMILES for (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide is C=CC(C(=O)NC)C(CC/C=C\C(=C)C)C(F)(F)F.
What is the InChIKey of (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide?
The InChIKey is PTZJDXGBWMJHPC-VURMDHGXSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-5-11(13(19)18-4)12(14(15,16)17)9-7-6-8-10(2)3/h5-6,8,11-12H,1-2,7,9H2,3-4H3,(H,18,19)/b8-6-.
What are the key properties of (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide?
(6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide has a molecular weight of 275.31 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2-ethenyl-N,8-dimethyl-3-(trifluoromethyl)nona-6,8-dienamide is sourced from PubChem (CID 162577249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).