(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine

C11H16F3NO — CID 123250131

IUPAC(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine
SMILES[H]/N=C(CCC)/C(C)=C/C=C(C)OC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-4-5-10(15)8(2)6-7-9(3)16-11(12,13)14/h6-7,15H,4-5H2,1-3H3/b8-6+,9-7?,15-10+
InChIKeyJCLUAHUCNCOOOR-CWBNWRJOSA-N
MW235.25 g/mol
LogP4.19
Rot. Bonds5

About (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine

(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine (PubChem CID 123250131) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine.

Molecular Properties

Compound Name(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine
PubChem CID123250131
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine
SMILES[H]/N=C(CCC)/C(C)=C/C=C(C)OC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-4-5-10(15)8(2)6-7-9(3)16-11(12,13)14/h6-7,15H,4-5H2,1-3H3/b8-6+,9-7?,15-10+
InChIKeyJCLUAHUCNCOOOR-CWBNWRJOSA-N
XLogP4.19
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine?
The IUPAC name of (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine (CID 123250131) is (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine.
What is the SMILES notation for (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine?
The canonical SMILES for (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine is [H]/N=C(CCC)/C(C)=C/C=C(C)OC(F)(F)F.
What is the InChIKey of (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine?
The InChIKey is JCLUAHUCNCOOOR-CWBNWRJOSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-4-5-10(15)8(2)6-7-9(3)16-11(12,13)14/h6-7,15H,4-5H2,1-3H3/b8-6+,9-7?,15-10+.
What are the key properties of (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine?
(5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine has a molecular weight of 235.25 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-methyl-8-(trifluoromethoxy)nona-5,7-dien-4-imine is sourced from PubChem (CID 123250131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).