4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid

C10H15F2NO4 — CID 21076050

IUPAC4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CCN1C(=O)O
InChIInChI=1S/C10H15F2NO4/c11-8(12)2-1-6-3-4-13(10(16)17)7(5-6)9(14)15/h6-8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyNFFKUNAOYKZPGZ-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.87
Rot. Bonds4

About 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid

4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid (PubChem CID 21076050) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid
PubChem CID21076050
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(CCC(F)F)CCN1C(=O)O
InChIInChI=1S/C10H15F2NO4/c11-8(12)2-1-6-3-4-13(10(16)17)7(5-6)9(14)15/h6-8H,1-5H2,(H,14,15)(H,16,17)
InChIKeyNFFKUNAOYKZPGZ-UHFFFAOYSA-N
XLogP1.87
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid (CID 21076050) is 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid is O=C(O)C1CC(CCC(F)F)CCN1C(=O)O.
What is the InChIKey of 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid?
The InChIKey is NFFKUNAOYKZPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c11-8(12)2-1-6-3-4-13(10(16)17)7(5-6)9(14)15/h6-8H,1-5H2,(H,14,15)(H,16,17).
What are the key properties of 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid?
4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)piperidine-1,2-dicarboxylic acid is sourced from PubChem (CID 21076050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).