2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid

C11H11ClFNO3 — CID 107140808

IUPAC2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(F)cc2Cl)CNC1
InChIInChI=1S/C11H11ClFNO3/c12-8-3-7(13)1-2-9(8)17-11(4-10(15)16)5-14-6-11/h1-3,14H,4-6H2,(H,15,16)
InChIKeyJYKTWCNVKPHIBU-UHFFFAOYSA-N
MW259.66 g/mol
LogP1.67
Rot. Bonds4

About 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid

2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140808) has the molecular formula C11H11ClFNO3 and a molecular weight of 259.66 g/mol. Its IUPAC name is 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
PubChem CID107140808
Molecular FormulaC11H11ClFNO3
Molecular Weight259.66 g/mol
Exact Mass259.04
IUPAC Name2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(F)cc2Cl)CNC1
InChIInChI=1S/C11H11ClFNO3/c12-8-3-7(13)1-2-9(8)17-11(4-10(15)16)5-14-6-11/h1-3,14H,4-6H2,(H,15,16)
InChIKeyJYKTWCNVKPHIBU-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.66
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3-chloro-2-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140986
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981
2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140947
2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
[1-(2-chloro-4-fluorophenoxy)cyclohexyl]methanamine
CID 82132436
2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid
CID 18317841
2-[3-[(2,4-difluorophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142600
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid (CID 107140808) is 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid is O=C(O)CC1(Oc2ccc(F)cc2Cl)CNC1.
What is the InChIKey of 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid?
The InChIKey is JYKTWCNVKPHIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO3/c12-8-3-7(13)1-2-9(8)17-11(4-10(15)16)5-14-6-11/h1-3,14H,4-6H2,(H,15,16).
What are the key properties of 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid?
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid has a molecular weight of 259.66 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).