(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine

C11H14F3N — CID 169164822

IUPAC(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C=C\C=C(/CC)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-10(11(12,13)14)6-4-5-9(2)7-8-15/h4-8,15H,3H2,1-2H3/b5-4-,9-7+,10-6+,15-8+
InChIKeyDORUQKLUXSPHDX-ATRVTORLSA-N
MW217.23 g/mol
LogP4.04
Rot. Bonds4

About (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine

(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine (PubChem CID 169164822) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine.

Molecular Properties

Compound Name(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
PubChem CID169164822
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine
SMILES[H]/N=C/C=C(C)/C=C\C=C(/CC)C(F)(F)F
InChIInChI=1S/C11H14F3N/c1-3-10(11(12,13)14)6-4-5-9(2)7-8-15/h4-8,15H,3H2,1-2H3/b5-4-,9-7+,10-6+,15-8+
InChIKeyDORUQKLUXSPHDX-ATRVTORLSA-N
XLogP4.04
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 54.04
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 (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine?
The IUPAC name of (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine (CID 169164822) is (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine.
What is the SMILES notation for (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine?
The canonical SMILES for (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine is [H]/N=C/C=C(C)/C=C\C=C(/CC)C(F)(F)F.
What is the InChIKey of (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine?
The InChIKey is DORUQKLUXSPHDX-ATRVTORLSA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-10(11(12,13)14)6-4-5-9(2)7-8-15/h4-8,15H,3H2,1-2H3/b5-4-,9-7+,10-6+,15-8+.
What are the key properties of (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine?
(2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine has a molecular weight of 217.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-3-methyl-7-(trifluoromethyl)nona-2,4,6-trien-1-imine is sourced from PubChem (CID 169164822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).