(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine

C8H10F3N — CID 121264680

IUPAC(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
SMILESC=C(/C=C(N)\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,7-5+
InChIKeyJSRILWWJGLOJTJ-QVXLNCAUSA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

About (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine

(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine (PubChem CID 121264680) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
PubChem CID121264680
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine
SMILESC=C(/C=C(N)\C=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,7-5+
InChIKeyJSRILWWJGLOJTJ-QVXLNCAUSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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 (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine?
The IUPAC name of (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine (CID 121264680) is (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine is C=C(/C=C(N)\C=C/C)C(F)(F)F.
What is the InChIKey of (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine?
The InChIKey is JSRILWWJGLOJTJ-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-4-7(12)5-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b4-3-,7-5+.
What are the key properties of (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine?
(3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine has a molecular weight of 177.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-(trifluoromethyl)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 121264680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).