(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine

C8H10F3N — CID 138628392

IUPAC(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC=CN/C=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(8(9,10)11)5-6-12-4-2/h3-6,12H,2H2,1H3/b6-5-,7-3+
InChIKeyMYQXJUQBMRMNJU-KQVMHNMJSA-N
MW177.17 g/mol
LogP2.74
Rot. Bonds3

About (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine

(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine (PubChem CID 138628392) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
PubChem CID138628392
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine
SMILESC=CN/C=C\C(=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(8(9,10)11)5-6-12-4-2/h3-6,12H,2H2,1H3/b6-5-,7-3+
InChIKeyMYQXJUQBMRMNJU-KQVMHNMJSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 52.74
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

4-(Trifluoromethyl)-1,2-dihydropyridine
CID 18367699
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,4E)-N-ethenyl-5-fluoro-2-methylhexa-2,4-dien-1-amine
CID 88935075
(1E,3Z)-5-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89129506
(1Z,3E)-4-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89140156
3-Fluoro-4-methyl-1,2-dihydropyridine
CID 89160332
(1Z,3Z)-2-methyl-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89189756
(1Z,3Z)-5-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 89211348
2-Fluoro-4-methyl-1,2-dihydropyridine
CID 89245132
(1E,3Z)-N,5-dimethyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 89302512
(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
CID 89326035
(2R)-2-fluoro-4-methyl-1,2-dihydropyridine
CID 118478982

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine (CID 138628392) is (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine is C=CN/C=C\C(=C/C)C(F)(F)F.
What is the InChIKey of (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine?
The InChIKey is MYQXJUQBMRMNJU-KQVMHNMJSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-7(8(9,10)11)5-6-12-4-2/h3-6,12H,2H2,1H3/b6-5-,7-3+.
What are the key properties of (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine?
(1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N-ethenyl-3-(trifluoromethyl)penta-1,3-dien-1-amine is sourced from PubChem (CID 138628392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).