2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid

C8H10F3NO4 — CID 123666074

IUPAC2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
SMILESO=C(O)C1CCCN(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)5-4(6(13)14)2-1-3-12(5)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16)
InChIKeyHWCPFIKGOOJRLV-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.39
Rot. Bonds1

About 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid

2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid (PubChem CID 123666074) has the molecular formula C8H10F3NO4 and a molecular weight of 241.16 g/mol. Its IUPAC name is 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
PubChem CID123666074
Molecular FormulaC8H10F3NO4
Molecular Weight241.16 g/mol
Exact Mass241.06
IUPAC Name2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
SMILESO=C(O)C1CCCN(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C8H10F3NO4/c9-8(10,11)5-4(6(13)14)2-1-3-12(5)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16)
InChIKeyHWCPFIKGOOJRLV-UHFFFAOYSA-N
XLogP1.39
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid?
The IUPAC name of 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid (CID 123666074) is 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid is O=C(O)C1CCCN(C(=O)O)C1C(F)(F)F.
What is the InChIKey of 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid?
The InChIKey is HWCPFIKGOOJRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO4/c9-8(10,11)5-4(6(13)14)2-1-3-12(5)7(15)16/h4-5H,1-3H2,(H,13,14)(H,15,16).
What are the key properties of 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid?
2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid has a molecular weight of 241.16 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 123666074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).