3-(difluoromethyl)-1-(2-methoxyethyl)azetidine

C7H13F2NO — CID 137445424

IUPAC3-(difluoromethyl)-1-(2-methoxyethyl)azetidine
SMILESCOCCN1CC(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-11-3-2-10-4-6(5-10)7(8)9/h6-7H,2-5H2,1H3
InChIKeyWEOSWXKUPRXWSO-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.83
Rot. Bonds4

About 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine

3-(difluoromethyl)-1-(2-methoxyethyl)azetidine (PubChem CID 137445424) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(2-methoxyethyl)azetidine
PubChem CID137445424
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(difluoromethyl)-1-(2-methoxyethyl)azetidine
SMILESCOCCN1CC(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-11-3-2-10-4-6(5-10)7(8)9/h6-7H,2-5H2,1H3
InChIKeyWEOSWXKUPRXWSO-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
3-(Fluoromethyl)-1-(2-methoxyethyl)azetidine
CID 123322216
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
3-Ethoxy-1-methyl-3-(trifluoromethyl)azetidine
CID 132101260
3-Methoxy-1-methyl-3-(trifluoromethyl)azetidine
CID 132101274
1-Ethyl-3-(trifluoromethoxy)azetidine
CID 137409379
1-Propan-2-yl-3-(trifluoromethoxy)azetidine
CID 137409406
3-(Difluoromethoxy)-1-(2,2-dimethylpropyl)azetidine
CID 137419194
3-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
CID 137449313

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine?
The IUPAC name of 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine (CID 137445424) is 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine.
What is the SMILES notation for 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine?
The canonical SMILES for 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine is COCCN1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine?
The InChIKey is WEOSWXKUPRXWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-3-2-10-4-6(5-10)7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine?
3-(difluoromethyl)-1-(2-methoxyethyl)azetidine has a molecular weight of 165.18 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(2-methoxyethyl)azetidine is sourced from PubChem (CID 137445424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).