2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid

C14H17F2NO3 — CID 65069833

IUPAC2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccccc1OC(F)F)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H17F2NO3/c1-9(17-7-10(8-17)6-13(18)19)11-4-2-3-5-12(11)20-14(15)16/h2-5,9-10,14H,6-8H2,1H3,(H,18,19)
InChIKeyCANZXQHXLMQWDZ-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.76
Rot. Bonds6

About 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid

2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid (PubChem CID 65069833) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
PubChem CID65069833
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid
SMILESCC(c1ccccc1OC(F)F)N1CC(CC(=O)O)C1
InChIInChI=1S/C14H17F2NO3/c1-9(17-7-10(8-17)6-13(18)19)11-4-2-3-5-12(11)20-14(15)16/h2-5,9-10,14H,6-8H2,1H3,(H,18,19)
InChIKeyCANZXQHXLMQWDZ-UHFFFAOYSA-N
XLogP2.76
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
2-[1-[1-(2-methylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069636
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
2-[1-(1-naphthalen-1-ylethyl)azetidin-3-yl]acetic acid
CID 65069244
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]acetic acid
CID 65068169
2-[1-[1-(2-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 79606010
2-[1-[1-(2,5-dimethylphenyl)ethyl]azetidin-3-yl]acetic acid
CID 65069876
1-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79376828
2-[1-[1-(5-bromo-2-fluorophenyl)ethyl]azetidin-3-yl]acetic acid
CID 82973801
[1-[1-[2-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959943
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid (CID 65069833) is 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid is CC(c1ccccc1OC(F)F)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid?
The InChIKey is CANZXQHXLMQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-9(17-7-10(8-17)6-13(18)19)11-4-2-3-5-12(11)20-14(15)16/h2-5,9-10,14H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid?
2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid has a molecular weight of 285.29 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 65069833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).