3,3-difluoro-1-(3-methoxypropyl)azetidine

C7H13F2NO — CID 130270319

IUPAC3,3-difluoro-1-(3-methoxypropyl)azetidine
SMILESCOCCCN1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c1-11-4-2-3-10-5-7(8,9)6-10/h2-6H2,1H3
InChIKeyNYTQJBSJVKWUFU-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.97
Rot. Bonds4

About 3,3-difluoro-1-(3-methoxypropyl)azetidine

3,3-difluoro-1-(3-methoxypropyl)azetidine (PubChem CID 130270319) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methoxypropyl)azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methoxypropyl)azetidine
PubChem CID130270319
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3,3-difluoro-1-(3-methoxypropyl)azetidine
SMILESCOCCCN1CC(F)(F)C1
InChIInChI=1S/C7H13F2NO/c1-11-4-2-3-10-5-7(8,9)6-10/h2-6H2,1H3
InChIKeyNYTQJBSJVKWUFU-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
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-difluoro-1-(3-methoxypropyl)azetidine?
The IUPAC name of 3,3-difluoro-1-(3-methoxypropyl)azetidine (CID 130270319) is 3,3-difluoro-1-(3-methoxypropyl)azetidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methoxypropyl)azetidine?
The canonical SMILES for 3,3-difluoro-1-(3-methoxypropyl)azetidine is COCCCN1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methoxypropyl)azetidine?
The InChIKey is NYTQJBSJVKWUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-4-2-3-10-5-7(8,9)6-10/h2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-(3-methoxypropyl)azetidine?
3,3-difluoro-1-(3-methoxypropyl)azetidine has a molecular weight of 165.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methoxypropyl)azetidine is sourced from PubChem (CID 130270319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).