Methyl 2-amino-4,4-difluorohexanoate;hydrobromide

C₇H₁₄BrF₂NO₂ — CID 87211510

About Methyl 2-amino-4,4-difluorohexanoate;hydrobromide

Methyl 2-amino-4,4-difluorohexanoate;hydrobromide (PubChem CID 87211510) has the molecular formula C₇H₁₄BrF₂NO₂ and a molecular weight of 262.09 g/mol. Its IUPAC name is methyl 2-amino-4,4-difluorohexanoate;hydrobromide.

Molecular Properties

• Compound Name: Methyl 2-amino-4,4-difluorohexanoate;hydrobromide
• PubChem CID: 87211510
• Molecular Formula: C₇H₁₄BrF₂NO₂
• Molecular Weight: 262.09 g/mol
• Exact Mass: 261.02
• IUPAC Name: methyl 2-amino-4,4-difluorohexanoate;hydrobromide
• SMILES: Br.CCC(F)(F)CC(N)C(=O)OC
• InChI: InChI=1S/C7H13F2NO2.BrH/c1-3-7(8,9)4-5(10)6(11)12-2;/h5H,3-4,10H2,1-2H3;1H
• InChIKey: YYJPNIZJAXVJNR-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.09
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Methyl 2-amino-4,4-difluorohexanoate;hydrobromide?

The IUPAC name of Methyl 2-amino-4,4-difluorohexanoate;hydrobromide (CID 87211510) is methyl 2-amino-4,4-difluorohexanoate;hydrobromide.

What is the SMILES notation for Methyl 2-amino-4,4-difluorohexanoate;hydrobromide?

The canonical SMILES for Methyl 2-amino-4,4-difluorohexanoate;hydrobromide is Br.CCC(F)(F)CC(N)C(=O)OC.

What is the InChIKey of Methyl 2-amino-4,4-difluorohexanoate;hydrobromide?

The InChIKey is YYJPNIZJAXVJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2.BrH/c1-3-7(8,9)4-5(10)6(11)12-2;/h5H,3-4,10H2,1-2H3;1H.

What are the key properties of Methyl 2-amino-4,4-difluorohexanoate;hydrobromide?

Methyl 2-amino-4,4-difluorohexanoate;hydrobromide has a molecular weight of 262.09 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-amino-4,4-difluorohexanoate;hydrobromide is sourced from PubChem (CID 87211510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87211510 — identifiers, structure, computed properties (public domain)

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