[3-(3-fluoropropoxy)cyclobutyl]methanamine

C8H16FNO — CID 81113511

IUPAC[3-(3-fluoropropoxy)cyclobutyl]methanamine
SMILESNCC1CC(OCCCF)C1
InChIInChI=1S/C8H16FNO/c9-2-1-3-11-8-4-7(5-8)6-10/h7-8H,1-6,10H2
InChIKeyHEOZIMCIADDHGG-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.10
Rot. Bonds5

About [3-(3-fluoropropoxy)cyclobutyl]methanamine

[3-(3-fluoropropoxy)cyclobutyl]methanamine (PubChem CID 81113511) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [3-(3-fluoropropoxy)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoropropoxy)cyclobutyl]methanamine
PubChem CID81113511
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[3-(3-fluoropropoxy)cyclobutyl]methanamine
SMILESNCC1CC(OCCCF)C1
InChIInChI=1S/C8H16FNO/c9-2-1-3-11-8-4-7(5-8)6-10/h7-8H,1-6,10H2
InChIKeyHEOZIMCIADDHGG-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoropropoxy)cyclobutyl]methanamine?
The IUPAC name of [3-(3-fluoropropoxy)cyclobutyl]methanamine (CID 81113511) is [3-(3-fluoropropoxy)cyclobutyl]methanamine.
What is the SMILES notation for [3-(3-fluoropropoxy)cyclobutyl]methanamine?
The canonical SMILES for [3-(3-fluoropropoxy)cyclobutyl]methanamine is NCC1CC(OCCCF)C1.
What is the InChIKey of [3-(3-fluoropropoxy)cyclobutyl]methanamine?
The InChIKey is HEOZIMCIADDHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c9-2-1-3-11-8-4-7(5-8)6-10/h7-8H,1-6,10H2.
What are the key properties of [3-(3-fluoropropoxy)cyclobutyl]methanamine?
[3-(3-fluoropropoxy)cyclobutyl]methanamine has a molecular weight of 161.22 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoropropoxy)cyclobutyl]methanamine is sourced from PubChem (CID 81113511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).