(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine

C8H10F3N — CID 89371600

IUPAC(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C(=C/CN)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-2-3-4-7(5-6-12)8(9,10)11/h2-5H,1,6,12H2/b4-3-,7-5+
InChIKeyZUSQUWSRPGGCQQ-QVXLNCAUSA-N
MW177.17 g/mol
LogP2.18
Rot. Bonds3

About (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine

(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine (PubChem CID 89371600) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
PubChem CID89371600
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine
SMILESC=C/C=C\C(=C/CN)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-2-3-4-7(5-6-12)8(9,10)11/h2-5H,1,6,12H2/b4-3-,7-5+
InChIKeyZUSQUWSRPGGCQQ-QVXLNCAUSA-N
XLogP2.18
TPSA26.02 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 ≤ 52.18
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-Ethenylhexa-3,5-dien-1-amine
CID 130019176
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
(1Z,3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 87085214
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dien-1-amine
CID 88266399
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-3-(trifluoromethyl)pent-2-en-1-amine
CID 88915468
[4-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 88982780
1-Cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethanamine
CID 89009809
3-(Trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 89018271
(5Z)-5,7,7,7-tetrafluoro-6-(fluoromethyl)hepta-1,5-dien-3-amine
CID 89073622

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine (CID 89371600) is (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine is C=C/C=C\C(=C/CN)C(F)(F)F.
What is the InChIKey of (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
The InChIKey is ZUSQUWSRPGGCQQ-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H10F3N/c1-2-3-4-7(5-6-12)8(9,10)11/h2-5H,1,6,12H2/b4-3-,7-5+.
What are the key properties of (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine?
(2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine has a molecular weight of 177.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3-(trifluoromethyl)hepta-2,4,6-trien-1-amine is sourced from PubChem (CID 89371600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).