3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid

C11H11F2NO3 — CID 67412712

IUPAC3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid
SMILESCOC1(c2cccc(F)c2F)CN(C(=O)O)C1
InChIInChI=1S/C11H11F2NO3/c1-17-11(5-14(6-11)10(15)16)7-3-2-4-8(12)9(7)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyFIIUBCFFPBMNLT-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.80
Rot. Bonds2

About 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid

3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid (PubChem CID 67412712) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid
PubChem CID67412712
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid
SMILESCOC1(c2cccc(F)c2F)CN(C(=O)O)C1
InChIInChI=1S/C11H11F2NO3/c1-17-11(5-14(6-11)10(15)16)7-3-2-4-8(12)9(7)13/h2-4H,5-6H2,1H3,(H,15,16)
InChIKeyFIIUBCFFPBMNLT-UHFFFAOYSA-N
XLogP1.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid 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

1,1-Dimethylethyl 3-(3,4-difluorophenyl)-3-hydroxy-1-azetidinecarboxylate
CID 65918807
tert-Butyl 3-(4-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 65813955
Tert-butyl 3-(3-fluorophenyl)-3-hydroxyazetidine-1-carboxylate
CID 65918384
Tert-butyl 3-hydroxy-3-(2-methylphenyl)azetidine-1-carboxylate
CID 65919621
Tert-butyl 3-hydroxy-3-(4-methylphenyl)azetidine-1-carboxylate
CID 65921284
3-(4-Fluorophenyl)-3-methoxyazetidine hydrochloride
CID 162335096
Ethyl (2-(2-fluorophenyl)-2-methoxypropyl)carbamate
CID 71810594
Methyl (2-methoxy-2-phenylbutyl)carbamate
CID 71810718
4,4,4-Trifluoro-1-[3-(4-fluorophenyl)-3-methoxy-azetidin-1-yl]butan-1-one
CID 137499441
3-(2,3-Difluorophenyl)-1-propyl-azetidin-3-ol
CID 46207878
3-(3,4-Difluorophenyl)-1-propylazetidin-3-ol
CID 46207879
3-(2,3-Difluorophenyl)-1-ethylazetidin-3-ol
CID 46208104

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid?
The IUPAC name of 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid (CID 67412712) is 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid.
What is the SMILES notation for 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid?
The canonical SMILES for 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid is COC1(c2cccc(F)c2F)CN(C(=O)O)C1.
What is the InChIKey of 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid?
The InChIKey is FIIUBCFFPBMNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-17-11(5-14(6-11)10(15)16)7-3-2-4-8(12)9(7)13/h2-4H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid?
3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid has a molecular weight of 243.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-3-methoxyazetidine-1-carboxylic acid is sourced from PubChem (CID 67412712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).