2-fluoro-3-methylbutan-1-amine;hydrochloride

C₅H₁₃ClFN — CID 105428310

About 2-fluoro-3-methylbutan-1-amine;hydrochloride

2-fluoro-3-methylbutan-1-amine;hydrochloride (PubChem CID 105428310) has the molecular formula C₅H₁₃ClFN and a molecular weight of 141.62 g/mol. Its IUPAC name is 2-fluoro-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-fluoro-3-methylbutan-1-amine;hydrochloride
• PubChem CID: 105428310
• Molecular Formula: C₅H₁₃ClFN
• Molecular Weight: 141.62 g/mol
• Exact Mass: 141.07
• IUPAC Name: 2-fluoro-3-methylbutan-1-amine;hydrochloride
• SMILES: CC(C)C(F)CN.Cl
• InChI: InChI=1S/C5H12FN.ClH/c1-4(2)5(6)3-7;/h4-5H,3,7H2,1-2H3;1H
• InChIKey: BALSISBWUISBDA-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	141.62
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methylbutan-1-amine;hydrochloride?

The IUPAC name of 2-fluoro-3-methylbutan-1-amine;hydrochloride (CID 105428310) is 2-fluoro-3-methylbutan-1-amine;hydrochloride.

What is the SMILES notation for 2-fluoro-3-methylbutan-1-amine;hydrochloride?

The canonical SMILES for 2-fluoro-3-methylbutan-1-amine;hydrochloride is CC(C)C(F)CN.Cl.

What is the InChIKey of 2-fluoro-3-methylbutan-1-amine;hydrochloride?

The InChIKey is BALSISBWUISBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN.ClH/c1-4(2)5(6)3-7;/h4-5H,3,7H2,1-2H3;1H.

What are the key properties of 2-fluoro-3-methylbutan-1-amine;hydrochloride?

2-fluoro-3-methylbutan-1-amine;hydrochloride has a molecular weight of 141.62 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 105428310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105428310 — identifiers, structure, computed properties (public domain)

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