4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid

C8H10F3NO3 — CID 91321948

IUPAC4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)5-1-3-12(4-2-5)7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyCULZEWSELIKZDO-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.51
Rot. Bonds1

About 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid

4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid (PubChem CID 91321948) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
PubChem CID91321948
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(13)5-1-3-12(4-2-5)7(14)15/h5H,1-4H2,(H,14,15)
InChIKeyCULZEWSELIKZDO-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid (CID 91321948) is 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid?
The InChIKey is CULZEWSELIKZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(13)5-1-3-12(4-2-5)7(14)15/h5H,1-4H2,(H,14,15).
What are the key properties of 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid?
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 91321948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).