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

C8H10F3NO4 — CID 64616199

IUPAC2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-2-5(3-12)1-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyBRLGQNWYVMINHK-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.09
Rot. Bonds3

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

2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid (PubChem CID 64616199) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid
PubChem CID64616199
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)OCC(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-2-5(3-12)1-6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyBRLGQNWYVMINHK-UHFFFAOYSA-N
XLogP1.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid (CID 64616199) is 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)OCC(F)(F)F)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid?
The InChIKey is BRLGQNWYVMINHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)4-16-7(15)12-2-5(3-12)1-6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid?
2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid has a molecular weight of 241.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).