(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine

C8H12F3N — CID 144962675

IUPAC(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-5-6(7(12)4-2)8(9,10)11/h4-5H,3,12H2,1-2H3/b6-5+,7-4+
InChIKeyITYBKCYDYGPLKA-HVUXDCMCSA-N
MW179.19 g/mol
LogP2.75
Rot. Bonds2

About (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine

(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine (PubChem CID 144962675) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine
PubChem CID144962675
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine
SMILESC/C=C(N)\C(=C/CC)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-3-5-6(7(12)4-2)8(9,10)11/h4-5H,3,12H2,1-2H3/b6-5+,7-4+
InChIKeyITYBKCYDYGPLKA-HVUXDCMCSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.75
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

ethyl 2-(trifluoromethyl)pent-2-enoate
CID 141220106
(Z)-1,1,1-trifluoro-2-methylpent-2-ene
CID 58901116
(E)-1-fluorobut-1-en-1-amine
CID 174005766
1,1,1-trifluoro-3-(2,2,2-trifluoroethyl)hex-3-ene
CID 146174874
(1E,3E)-1-N-[2-(dimethylamino)ethyl]-1-N,3-dimethylhexa-1,3-diene-1,2-diamine
CID 155299178
(Z)-4-(trifluoromethyl)hept-3-ene
CID 174331610
(Z)-2-aminopent-2-enamide
CID 19089602
ethyl 2-tert-butylpent-2-enoate
CID 174841205
ethyl 3-hydroxy-2-(trifluoromethyl)prop-2-enoate
CID 174696365
(3Z,5Z)-2-fluoro-2,5-dimethylocta-3,5-diene
CID 138465029
(3E)-2-methylhexa-1,3-dien-3-amine
CID 130242711
methanamine;(Z)-pent-2-en-2-amine
CID 145487101

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine?
The IUPAC name of (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine (CID 144962675) is (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine.
What is the SMILES notation for (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine?
The canonical SMILES for (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine is C/C=C(N)\C(=C/CC)C(F)(F)F.
What is the InChIKey of (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine?
The InChIKey is ITYBKCYDYGPLKA-HVUXDCMCSA-N. The full InChI is InChI=1S/C8H12F3N/c1-3-5-6(7(12)4-2)8(9,10)11/h4-5H,3,12H2,1-2H3/b6-5+,7-4+.
What are the key properties of (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine?
(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine has a molecular weight of 179.19 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-3-amine is sourced from PubChem (CID 144962675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).