1-(ethoxymethyl)-3,3-difluoroazetidine

C6H11F2NO — CID 123800437

IUPAC1-(ethoxymethyl)-3,3-difluoroazetidine
SMILESCCOCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-2-10-5-9-3-6(7,8)4-9/h2-5H2,1H3
InChIKeyCOQJLCFQZXDUAB-UHFFFAOYSA-N
MW151.16 g/mol
LogP0.93
Rot. Bonds3

About 1-(ethoxymethyl)-3,3-difluoroazetidine

1-(ethoxymethyl)-3,3-difluoroazetidine (PubChem CID 123800437) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-(ethoxymethyl)-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-(ethoxymethyl)-3,3-difluoroazetidine
PubChem CID123800437
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-(ethoxymethyl)-3,3-difluoroazetidine
SMILESCCOCN1CC(F)(F)C1
InChIInChI=1S/C6H11F2NO/c1-2-10-5-9-3-6(7,8)4-9/h2-5H2,1H3
InChIKeyCOQJLCFQZXDUAB-UHFFFAOYSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(ethoxymethyl)-3,3-difluoroazetidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-3,3-difluoroazetidine?
The IUPAC name of 1-(ethoxymethyl)-3,3-difluoroazetidine (CID 123800437) is 1-(ethoxymethyl)-3,3-difluoroazetidine.
What is the SMILES notation for 1-(ethoxymethyl)-3,3-difluoroazetidine?
The canonical SMILES for 1-(ethoxymethyl)-3,3-difluoroazetidine is CCOCN1CC(F)(F)C1.
What is the InChIKey of 1-(ethoxymethyl)-3,3-difluoroazetidine?
The InChIKey is COQJLCFQZXDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-2-10-5-9-3-6(7,8)4-9/h2-5H2,1H3.
What are the key properties of 1-(ethoxymethyl)-3,3-difluoroazetidine?
1-(ethoxymethyl)-3,3-difluoroazetidine has a molecular weight of 151.16 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-3,3-difluoroazetidine is sourced from PubChem (CID 123800437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).