[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine

C₇H₁₃F₂NO — CID 155822407

About [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine

[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine (PubChem CID 155822407) has the molecular formula C₇H₁₃F₂NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine.

Molecular Properties

• Compound Name: [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine
• PubChem CID: 155822407
• Molecular Formula: C₇H₁₃F₂NO
• Molecular Weight: 165.18 g/mol
• Exact Mass: 165.10
• IUPAC Name: [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine
• SMILES: COC1(CN)CC(C(F)F)C1
• InChI: InChI=1S/C7H13F2NO/c1-11-7(4-10)2-5(3-7)6(8)9/h5-6H,2-4,10H2,1H3
• InChIKey: FALMPWSYKJBHQT-UHFFFAOYSA-N
• XLogP: 1.01
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.18
LogP ≤ 5	1.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?

The IUPAC name of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine (CID 155822407) is [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine.

What is the SMILES notation for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?

The canonical SMILES for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine is COC1(CN)CC(C(F)F)C1.

What is the InChIKey of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?

The InChIKey is FALMPWSYKJBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-7(4-10)2-5(3-7)6(8)9/h5-6H,2-4,10H2,1H3.

What are the key properties of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?

[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine is sourced from PubChem (CID 155822407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155822407 — identifiers, structure, computed properties (public domain)

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