1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine

C₉H₁₆F₃N — CID 163590280

About 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine

1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine (PubChem CID 163590280) has the molecular formula C₉H₁₆F₃N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
• PubChem CID: 163590280
• Molecular Formula: C₉H₁₆F₃N
• Molecular Weight: 195.23 g/mol
• Exact Mass: 195.12
• IUPAC Name: 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine
• SMILES: C=C(C)NC(C(C)(C)C)C(F)(F)F
• InChI: InChI=1S/C9H16F3N/c1-6(2)13-7(8(3,4)5)9(10,11)12/h7,13H,1H2,2-5H3
• InChIKey: GOYPROKWUSYMMK-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	195.23
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?

The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine (CID 163590280) is 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine.

What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?

The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine is C=C(C)NC(C(C)(C)C)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?

The InChIKey is GOYPROKWUSYMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-6(2)13-7(8(3,4)5)9(10,11)12/h7,13H,1H2,2-5H3.

What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine?

1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine has a molecular weight of 195.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-3,3-dimethyl-N-prop-1-en-2-ylbutan-2-amine is sourced from PubChem (CID 163590280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163590280 — identifiers, structure, computed properties (public domain)

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