2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid

C9H16FNO3 — CID 139341842

IUPAC2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid
SMILESCC(C)N1CC(F)C1COCC(=O)O
InChIInChI=1S/C9H16FNO3/c1-6(2)11-3-7(10)8(11)4-14-5-9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyFOPUHEKJOYJKEL-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.52
Rot. Bonds5

About 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid

2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid (PubChem CID 139341842) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid
PubChem CID139341842
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Name2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid
SMILESCC(C)N1CC(F)C1COCC(=O)O
InChIInChI=1S/C9H16FNO3/c1-6(2)11-3-7(10)8(11)4-14-5-9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyFOPUHEKJOYJKEL-UHFFFAOYSA-N
XLogP0.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid?
The IUPAC name of 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid (CID 139341842) is 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid is CC(C)N1CC(F)C1COCC(=O)O.
What is the InChIKey of 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid?
The InChIKey is FOPUHEKJOYJKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-6(2)11-3-7(10)8(11)4-14-5-9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid?
2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid has a molecular weight of 205.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid is sourced from PubChem (CID 139341842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).