1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid

C8H10F3NO4 — CID 57213267

IUPAC1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-12-3-1-2-5(4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyMWLWPXSGLAANLF-UHFFFAOYSA-N
MW241.16 g/mol
LogP0.80
Rot. Bonds2

About 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid

1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid (PubChem CID 57213267) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid
PubChem CID57213267
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(OC(=O)C(F)(F)F)C1
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-12-3-1-2-5(4-12)6(13)14/h5H,1-4H2,(H,13,14)
InChIKeyMWLWPXSGLAANLF-UHFFFAOYSA-N
XLogP0.80
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid (CID 57213267) is 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid is O=C(O)C1CCCN(OC(=O)C(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid?
The InChIKey is MWLWPXSGLAANLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)7(15)16-12-3-1-2-5(4-12)6(13)14/h5H,1-4H2,(H,13,14).
What are the key properties of 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid?
1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)oxypiperidine-3-carboxylic acid is sourced from PubChem (CID 57213267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).