(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide

C15H16F3NO — CID 142070688

IUPAC(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide
SMILESC=C(/C=C/C(=C)C(=C)/C=C\C(=C)C(F)(F)F)CC(N)=O
InChIInChI=1S/C15H16F3NO/c1-10(9-14(19)20)5-6-11(2)12(3)7-8-13(4)15(16,17)18/h5-8H,1-4,9H2,(H2,19,20)/b6-5-,8-7-
InChIKeyCNXKPKWEAAAZLT-ISTTXYCBSA-N
MW283.29 g/mol
LogP3.76
Rot. Bonds7

About (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide

(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide (PubChem CID 142070688) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide.

Molecular Properties

Compound Name(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide
PubChem CID142070688
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide
SMILESC=C(/C=C/C(=C)C(=C)/C=C\C(=C)C(F)(F)F)CC(N)=O
InChIInChI=1S/C15H16F3NO/c1-10(9-14(19)20)5-6-11(2)12(3)7-8-13(4)15(16,17)18/h5-8H,1-4,9H2,(H2,19,20)/b6-5-,8-7-
InChIKeyCNXKPKWEAAAZLT-ISTTXYCBSA-N
XLogP3.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide?
The IUPAC name of (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide (CID 142070688) is (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide.
What is the SMILES notation for (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide?
The canonical SMILES for (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide is C=C(/C=C/C(=C)C(=C)/C=C\C(=C)C(F)(F)F)CC(N)=O.
What is the InChIKey of (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide?
The InChIKey is CNXKPKWEAAAZLT-ISTTXYCBSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-10(9-14(19)20)5-6-11(2)12(3)7-8-13(4)15(16,17)18/h5-8H,1-4,9H2,(H2,19,20)/b6-5-,8-7-.
What are the key properties of (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide?
(4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide has a molecular weight of 283.29 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8Z)-3,6,7-trimethylidene-10-(trifluoromethyl)undeca-4,8,10-trienamide is sourced from PubChem (CID 142070688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).