1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine

C₁₄H₁₇F₄N — CID 105005621

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine (PubChem CID 105005621) has the molecular formula C₁₄H₁₇F₄N and a molecular weight of 275.29 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine.

Molecular Properties

• Compound Name: 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
• PubChem CID: 105005621
• Molecular Formula: C₁₄H₁₇F₄N
• Molecular Weight: 275.29 g/mol
• Exact Mass: 275.13
• IUPAC Name: 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
• SMILES: C=C(C)C(NCCC)c1ccc(F)c(C(F)(F)F)c1
• InChI: InChI=1S/C14H17F4N/c1-4-7-19-13(9(2)3)10-5-6-12(15)11(8-10)14(16,17)18/h5-6,8,13,19H,2,4,7H2,1,3H3
• InChIKey: QUJRHOUXBRCEAY-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.29
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine?

The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine (CID 105005621) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine.

What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine?

The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)c1ccc(F)c(C(F)(F)F)c1.

What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine?

The InChIKey is QUJRHOUXBRCEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c1-4-7-19-13(9(2)3)10-5-6-12(15)11(8-10)14(16,17)18/h5-6,8,13,19H,2,4,7H2,1,3H3.

What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine?

1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine has a molecular weight of 275.29 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105005621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105005621 — identifiers, structure, computed properties (public domain)

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