JOAWZAQTJVLFJQ-ALCCZGGFSA-N

C₈H₁₂F₃N — CID 129041662

About JOAWZAQTJVLFJQ-ALCCZGGFSA-N

JOAWZAQTJVLFJQ-ALCCZGGFSA-N (PubChem CID 129041662) has the molecular formula C₈H₁₂F₃N and a molecular weight of 179.18 g/mol. Its IUPAC name is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine.

Molecular Properties

• Compound Name: JOAWZAQTJVLFJQ-ALCCZGGFSA-N
• PubChem CID: 129041662
• Molecular Formula: C₈H₁₂F₃N
• Molecular Weight: 179.18 g/mol
• Exact Mass: 179.09
• IUPAC Name: (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine
• SMILES: C=C(/C=C(/C)N(C)C)C(F)(F)F
• InChI: InChI=1S/C8H12F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5H,1H2,2-4H3/b7-5-
• InChIKey: JOAWZAQTJVLFJQ-ALCCZGGFSA-N
• XLogP: 2.57
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	179.18
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of JOAWZAQTJVLFJQ-ALCCZGGFSA-N?

The IUPAC name of JOAWZAQTJVLFJQ-ALCCZGGFSA-N (CID 129041662) is (2Z)-N,N-dimethyl-4-(trifluoromethyl)penta-2,4-dien-2-amine.

What is the SMILES notation for JOAWZAQTJVLFJQ-ALCCZGGFSA-N?

The canonical SMILES for JOAWZAQTJVLFJQ-ALCCZGGFSA-N is C=C(/C=C(/C)N(C)C)C(F)(F)F.

What is the InChIKey of JOAWZAQTJVLFJQ-ALCCZGGFSA-N?

The InChIKey is JOAWZAQTJVLFJQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(8(9,10)11)5-7(2)12(3)4/h5H,1H2,2-4H3/b7-5-.

What are the key properties of JOAWZAQTJVLFJQ-ALCCZGGFSA-N?

JOAWZAQTJVLFJQ-ALCCZGGFSA-N has a molecular weight of 179.18 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for JOAWZAQTJVLFJQ-ALCCZGGFSA-N is sourced from PubChem (CID 129041662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129041662 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.