(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine

C11H16F3NO — CID 178040888

IUPAC(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine
SMILESCCC/C=C(/C=C\C=C(/C)N)OC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-3-4-7-10(16-11(12,13)14)8-5-6-9(2)15/h5-8H,3-4,15H2,1-2H3/b8-5-,9-6+,10-7-
InChIKeyXTFHWUMNVYSJBW-YJPPJNGCSA-N
MW235.25 g/mol
LogP3.63
Rot. Bonds5

About (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine

(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine (PubChem CID 178040888) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine
PubChem CID178040888
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine
SMILESCCC/C=C(/C=C\C=C(/C)N)OC(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-3-4-7-10(16-11(12,13)14)8-5-6-9(2)15/h5-8H,3-4,15H2,1-2H3/b8-5-,9-6+,10-7-
InChIKeyXTFHWUMNVYSJBW-YJPPJNGCSA-N
XLogP3.63
TPSA35.25 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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,6Z,8E)-2-ethoxy-8-fluoroundeca-1,3,6,8,10-pentaen-4-amine
CID 89143256
5-(Difluoromethoxy)-6-methylcyclohepta-1,3,5-trien-1-amine
CID 135190298
(4E,6E)-8-methoxy-3-methyl-7-(trifluoromethyl)nona-4,6,8-trien-4-amine
CID 138527451
(3E,5E)-6-(trifluoromethoxy)hepta-3,5-dien-3-amine
CID 142164428
2-(Trifluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 143073553
(3E)-3-fluoro-5-methylhexa-1,3,5-trien-2-amine;(3E)-4-(trifluoromethoxy)hexa-1,3,5-trien-2-amine
CID 143431971
(3E,5Z)-6-amino-4-(trifluoromethoxy)hepta-3,5-dienenitrile
CID 143808992
(3Z,5E)-5-(trifluoromethoxy)hepta-1,3,5-trien-2-amine
CID 145179777
(2Z,4E,6Z)-6-ethoxy-8,8,9-trifluoronona-2,4,6-trien-4-amine
CID 155442227
3-(Difluoromethoxy)cyclohexa-1,3-dien-1-amine
CID 163539633
(3Z,4Z)-4-ethenyl-6-ethyl-5-methoxy-3-[2-(trifluoromethyl)pent-2-enylidene]nona-1,4,6-trien-2-amine
CID 166907514
4-(Trifluoromethoxy)cyclohepta-1,3,5-trien-1-amine
CID 143062481

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine?
The IUPAC name of (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine (CID 178040888) is (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine.
What is the SMILES notation for (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine?
The canonical SMILES for (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine is CCC/C=C(/C=C\C=C(/C)N)OC(F)(F)F.
What is the InChIKey of (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine?
The InChIKey is XTFHWUMNVYSJBW-YJPPJNGCSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-3-4-7-10(16-11(12,13)14)8-5-6-9(2)15/h5-8H,3-4,15H2,1-2H3/b8-5-,9-6+,10-7-.
What are the key properties of (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine?
(2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine has a molecular weight of 235.25 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-6-(trifluoromethoxy)deca-2,4,6-trien-2-amine is sourced from PubChem (CID 178040888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).