(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine

C11H16F3N — CID 91250232

IUPAC(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(C)/C=C\CC(C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-8(7-10(3)15)5-4-6-9(2)11(12,13)14/h4-5,7,9,15H,6H2,1-3H3/b5-4-,8-7+,15-10+
InChIKeyDQLQPRRUEUGISL-LPYQIECWSA-N
MW219.25 g/mol
LogP4.12
Rot. Bonds4

About (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine

(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine (PubChem CID 91250232) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
PubChem CID91250232
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine
SMILES[H]/N=C(C)/C=C(C)/C=C\CC(C)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-8(7-10(3)15)5-4-6-9(2)11(12,13)14/h4-5,7,9,15H,6H2,1-3H3/b5-4-,8-7+,15-10+
InChIKeyDQLQPRRUEUGISL-LPYQIECWSA-N
XLogP4.12
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine (CID 91250232) is (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine is [H]/N=C(C)/C=C(C)/C=C\CC(C)C(F)(F)F.
What is the InChIKey of (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine?
The InChIKey is DQLQPRRUEUGISL-LPYQIECWSA-N. The full InChI is InChI=1S/C11H16F3N/c1-8(7-10(3)15)5-4-6-9(2)11(12,13)14/h4-5,7,9,15H,6H2,1-3H3/b5-4-,8-7+,15-10+.
What are the key properties of (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine?
(3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine has a molecular weight of 219.25 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-9,9,9-trifluoro-4,8-dimethylnona-3,5-dien-2-imine is sourced from PubChem (CID 91250232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).