(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine

C9H12F3N — CID 130242945

IUPAC(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-7(9(10,11)12)5-6-8(13)4-2/h3-6H,13H2,1-2H3/b6-5-,7-3+,8-4+
InChIKeyXOSOFCLHFWNHLH-CRBAZOTPSA-N
MW191.20 g/mol
LogP2.91
Rot. Bonds2

About (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine

(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine (PubChem CID 130242945) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
PubChem CID130242945
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine
SMILESC/C=C(N)\C=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-7(9(10,11)12)5-6-8(13)4-2/h3-6H,13H2,1-2H3/b6-5-,7-3+,8-4+
InChIKeyXOSOFCLHFWNHLH-CRBAZOTPSA-N
XLogP2.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine with MolForge

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Related Compounds

2-Methyl-5-(trifluoromethyl)benzene-4-id-1-amine;tungsten
CID 58729804
2-Fluoro-5-methylcyclohepta-1,3,6-trien-1-amine
CID 68229473
3,4-Difluoro-3,4-dimethylcyclohexa-1,5-dien-1-amine
CID 70567026
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5E)-5-fluoroocta-3,5,7-trien-3-amine
CID 88905364
(2E,4E)-2-fluorohepta-2,4-dien-4-amine
CID 88953573
(2Z,4Z)-5-ethenyl-1,1,1-trifluoroocta-2,4-dien-2-amine
CID 88963377
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
6-Methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 89073819
(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-3-amine
CID 89074088

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine (CID 130242945) is (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine is C/C=C(N)\C=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
The InChIKey is XOSOFCLHFWNHLH-CRBAZOTPSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-7(9(10,11)12)5-6-8(13)4-2/h3-6H,13H2,1-2H3/b6-5-,7-3+,8-4+.
What are the key properties of (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine?
(2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine has a molecular weight of 191.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6E)-6-(trifluoromethyl)octa-2,4,6-trien-3-amine is sourced from PubChem (CID 130242945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).