Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate

C₁₀H₁₈F₃NO₂ — CID 153321762

About Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate

Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate (PubChem CID 153321762) has the molecular formula C₁₀H₁₈F₃NO₂ and a molecular weight of 241.25 g/mol. Its IUPAC name is tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate.

Molecular Properties

• Compound Name: Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate
• PubChem CID: 153321762
• Molecular Formula: C₁₀H₁₈F₃NO₂
• Molecular Weight: 241.25 g/mol
• Exact Mass: 241.13
• IUPAC Name: tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate
• SMILES: CC(C)(C)OC(=O)CCC[C@@H](N)C(F)(F)F
• InChI: InChI=1S/C10H18F3NO2/c1-9(2,3)16-8(15)6-4-5-7(14)10(11,12)13/h7H,4-6,14H2,1-3H3/t7-/m1/s1
• InChIKey: VNZJZPIXEMSFKJ-SSDOTTSWSA-N
• XLogP: 2.39
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.25
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate?

The IUPAC name of Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate (CID 153321762) is tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate.

What is the SMILES notation for Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate?

The canonical SMILES for Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate is CC(C)(C)OC(=O)CCC[C@@H](N)C(F)(F)F.

What is the InChIKey of Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate?

The InChIKey is VNZJZPIXEMSFKJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(2,3)16-8(15)6-4-5-7(14)10(11,12)13/h7H,4-6,14H2,1-3H3/t7-/m1/s1.

What are the key properties of Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate?

Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate has a molecular weight of 241.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate is sourced from PubChem (CID 153321762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153321762 — identifiers, structure, computed properties (public domain)

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