[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol

C₁₂H₁₆FNO — CID 116944249

About [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol

[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol (PubChem CID 116944249) has the molecular formula C₁₂H₁₆FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol.

Molecular Properties

• Compound Name: [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
• PubChem CID: 116944249
• Molecular Formula: C₁₂H₁₆FNO
• Molecular Weight: 209.26 g/mol
• Exact Mass: 209.12
• IUPAC Name: [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol
• SMILES: NC(c1ccccc1F)C1(CO)CCC1
• InChI: InChI=1S/C12H16FNO/c13-10-5-2-1-4-9(10)11(14)12(8-15)6-3-7-12/h1-2,4-5,11,15H,3,6-8,14H2
• InChIKey: ORNBRHXRKBKGJL-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 46.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	209.26
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?

The IUPAC name of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol (CID 116944249) is [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol.

What is the SMILES notation for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?

The canonical SMILES for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol is NC(c1ccccc1F)C1(CO)CCC1.

What is the InChIKey of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?

The InChIKey is ORNBRHXRKBKGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-5-2-1-4-9(10)11(14)12(8-15)6-3-7-12/h1-2,4-5,11,15H,3,6-8,14H2.

What are the key properties of [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol?

[1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol has a molecular weight of 209.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[amino-(2-fluorophenyl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 116944249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 116944249 — identifiers, structure, computed properties (public domain)

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