(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine

C₁₀H₁₁F₄N — CID 118957859

About (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine

(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine (PubChem CID 118957859) has the molecular formula C₁₀H₁₁F₄N and a molecular weight of 221.20 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

• Compound Name: (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
• PubChem CID: 118957859
• Molecular Formula: C₁₀H₁₁F₄N
• Molecular Weight: 221.20 g/mol
• Exact Mass: 221.08
• IUPAC Name: (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine
• SMILES: C[C@H](NCc1ccc(F)cc1)C(F)(F)F
• InChI: InChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1
• InChIKey: KLZIMAZQYDNFPK-ZETCQYMHSA-N
• XLogP: 2.87
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	221.20
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?

The IUPAC name of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine (CID 118957859) is (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine.

What is the SMILES notation for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?

The canonical SMILES for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine is C[C@H](NCc1ccc(F)cc1)C(F)(F)F.

What is the InChIKey of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?

The InChIKey is KLZIMAZQYDNFPK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11F4N/c1-7(10(12,13)14)15-6-8-2-4-9(11)5-3-8/h2-5,7,15H,6H2,1H3/t7-/m0/s1.

What are the key properties of (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine?

(2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine has a molecular weight of 221.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1,1,1-trifluoro-N-[(4-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 118957859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118957859 — identifiers, structure, computed properties (public domain)

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