(Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine

C₇H₁₁F₃N₂ — CID 154979731

About (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine

(Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine (PubChem CID 154979731) has the molecular formula C₇H₁₁F₃N₂ and a molecular weight of 180.17 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine.

Molecular Properties

• Compound Name: (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine
• PubChem CID: 154979731
• Molecular Formula: C₇H₁₁F₃N₂
• Molecular Weight: 180.17 g/mol
• Exact Mass: 180.09
• IUPAC Name: (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine
• SMILES: CC(C)/N=C/C=C(\N)C(F)(F)F
• InChI: InChI=1S/C7H11F3N2/c1-5(2)12-4-3-6(11)7(8,9)10/h3-5H,11H2,1-2H3/b6-3-,12-4+
• InChIKey: CDHYVEUAPYGPOB-OJCJLYEQSA-N
• XLogP: 1.87
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.17
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine?

The IUPAC name of (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine (CID 154979731) is (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine.

What is the SMILES notation for (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine?

The canonical SMILES for (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine is CC(C)/N=C/C=C(\N)C(F)(F)F.

What is the InChIKey of (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine?

The InChIKey is CDHYVEUAPYGPOB-OJCJLYEQSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)12-4-3-6(11)7(8,9)10/h3-5H,11H2,1-2H3/b6-3-,12-4+.

What are the key properties of (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine?

(Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine has a molecular weight of 180.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,1,1-trifluoro-4-propan-2-yliminobut-2-en-2-amine is sourced from PubChem (CID 154979731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154979731 — identifiers, structure, computed properties (public domain)

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