2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid

C7H10F3NO2 — CID 84720814

IUPAC2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(6(12)13)4-11-2-1-3-11/h5H,1-4H2,(H,12,13)
InChIKeyOPCLMNIEFOUXIC-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.96
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid

2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid (PubChem CID 84720814) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid
PubChem CID84720814
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN1CCC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(6(12)13)4-11-2-1-3-11/h5H,1-4H2,(H,12,13)
InChIKeyOPCLMNIEFOUXIC-UHFFFAOYSA-N
XLogP0.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid (CID 84720814) is 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid is O=C(O)C(CN1CCC1)C(F)(F)F.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid?
The InChIKey is OPCLMNIEFOUXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(6(12)13)4-11-2-1-3-11/h5H,1-4H2,(H,12,13).
What are the key properties of 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid?
2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid has a molecular weight of 197.16 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 84720814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).