5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid

C8H11F2NO4 — CID 174836214

IUPAC5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C8H11F2NO4/c1-7(5(12)13)2-8(9,10)4-11(3-7)6(14)15/h2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyBQQPOCIOVCYEOX-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.10
Rot. Bonds1

About 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid

5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid (PubChem CID 174836214) has the molecular formula C8H11F2NO4 and a molecular weight of 223.17 g/mol. Its IUPAC name is 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid
PubChem CID174836214
Molecular FormulaC8H11F2NO4
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CN(C(=O)O)CC(F)(F)C1
InChIInChI=1S/C8H11F2NO4/c1-7(5(12)13)2-8(9,10)4-11(3-7)6(14)15/h2-4H2,1H3,(H,12,13)(H,14,15)
InChIKeyBQQPOCIOVCYEOX-UHFFFAOYSA-N
XLogP1.10
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid?
The IUPAC name of 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid (CID 174836214) is 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid.
What is the SMILES notation for 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid?
The canonical SMILES for 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid is CC1(C(=O)O)CN(C(=O)O)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid?
The InChIKey is BQQPOCIOVCYEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO4/c1-7(5(12)13)2-8(9,10)4-11(3-7)6(14)15/h2-4H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid?
5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid has a molecular weight of 223.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 174836214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).