(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine

C7H9F3N2 — CID 162580541

IUPAC(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=N/C=C(\C=C/CN)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-12-5-6(3-2-4-11)7(8,9)10/h2-3,5H,1,4,11H2/b3-2-,6-5+
InChIKeyAXSNOKFLYDOBNJ-NDEAWQBTSA-N
MW178.16 g/mol
LogP1.65
Rot. Bonds3

About (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine

(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine (PubChem CID 162580541) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
PubChem CID162580541
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine
SMILESC=N/C=C(\C=C/CN)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-12-5-6(3-2-4-11)7(8,9)10/h2-3,5H,1,4,11H2/b3-2-,6-5+
InChIKeyAXSNOKFLYDOBNJ-NDEAWQBTSA-N
XLogP1.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine (CID 162580541) is (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine is C=N/C=C(\C=C/CN)C(F)(F)F.
What is the InChIKey of (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
The InChIKey is AXSNOKFLYDOBNJ-NDEAWQBTSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-12-5-6(3-2-4-11)7(8,9)10/h2-3,5H,1,4,11H2/b3-2-,6-5+.
What are the key properties of (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine?
(2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine has a molecular weight of 178.16 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(methylideneamino)-4-(trifluoromethyl)penta-2,4-dien-1-amine is sourced from PubChem (CID 162580541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).