1-[2-(1,1-difluoroethoxy)ethyl]azetidine

C7H13F2NO — CID 171795370

IUPAC1-[2-(1,1-difluoroethoxy)ethyl]azetidine
SMILESCC(F)(F)OCCN1CCC1
InChIInChI=1S/C7H13F2NO/c1-7(8,9)11-6-5-10-3-2-4-10/h2-6H2,1H3
InChIKeyOOPLZDCGNJUOEQ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.32
Rot. Bonds4

About 1-[2-(1,1-difluoroethoxy)ethyl]azetidine

1-[2-(1,1-difluoroethoxy)ethyl]azetidine (PubChem CID 171795370) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethoxy)ethyl]azetidine.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethoxy)ethyl]azetidine
PubChem CID171795370
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name1-[2-(1,1-difluoroethoxy)ethyl]azetidine
SMILESCC(F)(F)OCCN1CCC1
InChIInChI=1S/C7H13F2NO/c1-7(8,9)11-6-5-10-3-2-4-10/h2-6H2,1H3
InChIKeyOOPLZDCGNJUOEQ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(1,1-difluoroethoxy)ethyl]azetidine 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

1-[(2R)-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propyl]azetidine
CID 59223645
2-(2,2-difluoropropoxy)-N,N-dimethylethanamine
CID 87526986
2-ethoxy-N-ethyl-2,2-difluoro-N-methylethanamine
CID 88886754
N-(2-ethoxy-1,1,2,2-tetrafluoroethyl)-1,2,2,3-tetrafluoro-N-(1,1,2-trifluoroethyl)propan-1-amine;hydrofluoride
CID 91412214
3-(Difluoromethoxy)-1-methylazetidine
CID 117744070
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 117973097
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
3-(Fluoromethyl)-1-(2-methoxyethyl)azetidine
CID 123322216
1-(2-Ethoxyethyl)-3-(fluoromethyl)azetidine
CID 123621807
3,3-Difluoro-1-(3-methoxypropyl)azetidine
CID 130270319

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]azetidine?
The IUPAC name of 1-[2-(1,1-difluoroethoxy)ethyl]azetidine (CID 171795370) is 1-[2-(1,1-difluoroethoxy)ethyl]azetidine.
What is the SMILES notation for 1-[2-(1,1-difluoroethoxy)ethyl]azetidine?
The canonical SMILES for 1-[2-(1,1-difluoroethoxy)ethyl]azetidine is CC(F)(F)OCCN1CCC1.
What is the InChIKey of 1-[2-(1,1-difluoroethoxy)ethyl]azetidine?
The InChIKey is OOPLZDCGNJUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-7(8,9)11-6-5-10-3-2-4-10/h2-6H2,1H3.
What are the key properties of 1-[2-(1,1-difluoroethoxy)ethyl]azetidine?
1-[2-(1,1-difluoroethoxy)ethyl]azetidine has a molecular weight of 165.18 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethoxy)ethyl]azetidine is sourced from PubChem (CID 171795370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).