3-(difluoromethoxy)-1-propan-2-ylazetidine

C7H13F2NO — CID 146385462

IUPAC3-(difluoromethoxy)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-5(2)10-3-6(4-10)11-7(8)9/h5-7H,3-4H2,1-2H3
InChIKeyVDTNAHZZQVJHQV-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.32
Rot. Bonds3

About 3-(difluoromethoxy)-1-propan-2-ylazetidine

3-(difluoromethoxy)-1-propan-2-ylazetidine (PubChem CID 146385462) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-propan-2-ylazetidine
PubChem CID146385462
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-(difluoromethoxy)-1-propan-2-ylazetidine
SMILESCC(C)N1CC(OC(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-5(2)10-3-6(4-10)11-7(8)9/h5-7H,3-4H2,1-2H3
InChIKeyVDTNAHZZQVJHQV-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(difluoromethoxy)-1-propan-2-ylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
3,3-Difluoro-1-(2-methoxyethyl)azetidine
CID 122269382
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
1-Methyl-3-(trifluoromethoxy)azetidine
CID 122534000
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
3,3-Difluoro-1-(2-propan-2-yloxyethyl)azetidine
CID 131973521
(2S)-2-(difluoromethoxy)-N-methyl-N-propan-2-ylpropan-1-amine
CID 134269818
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-(Difluoromethyl)-1-(2-methoxyethyl)azetidine
CID 137445424
3-Propan-2-yloxy-1-(2,2,2-trifluoroethyl)azetidine
CID 137449313

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-propan-2-ylazetidine?
The IUPAC name of 3-(difluoromethoxy)-1-propan-2-ylazetidine (CID 146385462) is 3-(difluoromethoxy)-1-propan-2-ylazetidine.
What is the SMILES notation for 3-(difluoromethoxy)-1-propan-2-ylazetidine?
The canonical SMILES for 3-(difluoromethoxy)-1-propan-2-ylazetidine is CC(C)N1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)-1-propan-2-ylazetidine?
The InChIKey is VDTNAHZZQVJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(2)10-3-6(4-10)11-7(8)9/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-propan-2-ylazetidine?
3-(difluoromethoxy)-1-propan-2-ylazetidine has a molecular weight of 165.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-propan-2-ylazetidine is sourced from PubChem (CID 146385462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).