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

C8H10F3N — CID 89153760

IUPAC(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+
InChIKeyGJWAQYMLAKWLSH-SBYNAHCQSA-N
MW177.17 g/mol
LogP2.52
Rot. Bonds2

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

(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine (PubChem CID 89153760) has the molecular formula C8H10F3N and a molecular weight of 177.17 g/mol. Its IUPAC name is (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
PubChem CID89153760
Molecular FormulaC8H10F3N
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
SMILESC=C(/C=C\C(N)=C/C)C(F)(F)F
InChIInChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+
InChIKeyGJWAQYMLAKWLSH-SBYNAHCQSA-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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine (CID 89153760) is (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine is C=C(/C=C\C(N)=C/C)C(F)(F)F.
What is the InChIKey of (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is GJWAQYMLAKWLSH-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H10F3N/c1-3-7(12)5-4-6(2)8(9,10)11/h3-5H,2,12H2,1H3/b5-4-,7-3+.
What are the key properties of (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-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 (2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 89153760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).