2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid

C8H13F2NO2 — CID 84664524

IUPAC2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid
SMILESCC(F)(F)CN1CC(CC(=O)O)C1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)5-11-3-6(4-11)2-7(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyKPWDBCXLFXUKHX-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.05
Rot. Bonds4

About 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid

2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid (PubChem CID 84664524) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid
PubChem CID84664524
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid
SMILESCC(F)(F)CN1CC(CC(=O)O)C1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)5-11-3-6(4-11)2-7(12)13/h6H,2-5H2,1H3,(H,12,13)
InChIKeyKPWDBCXLFXUKHX-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid (CID 84664524) is 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid is CC(F)(F)CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid?
The InChIKey is KPWDBCXLFXUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)5-11-3-6(4-11)2-7(12)13/h6H,2-5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid?
2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid has a molecular weight of 193.19 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 84664524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).