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

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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).