4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid

C6H9F2NO4 — CID 121378544

IUPAC4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(F)(F)C(O)C1
InChIInChI=1S/C6H9F2NO4/c7-6(8)3(10)1-9(5(12)13)2-4(6)11/h3-4,10-11H,1-2H2,(H,12,13)
InChIKeyQQDKULXBZXQICZ-UHFFFAOYSA-N
MW197.14 g/mol
LogP-0.66
Rot. Bonds

About 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid

4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid (PubChem CID 121378544) has the molecular formula C6H9F2NO4 and a molecular weight of 197.14 g/mol. Its IUPAC name is 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid
PubChem CID121378544
Molecular FormulaC6H9F2NO4
Molecular Weight197.14 g/mol
Exact Mass197.05
IUPAC Name4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CC(O)C(F)(F)C(O)C1
InChIInChI=1S/C6H9F2NO4/c7-6(8)3(10)1-9(5(12)13)2-4(6)11/h3-4,10-11H,1-2H2,(H,12,13)
InChIKeyQQDKULXBZXQICZ-UHFFFAOYSA-N
XLogP-0.66
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid?
The IUPAC name of 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid (CID 121378544) is 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid?
The canonical SMILES for 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid is O=C(O)N1CC(O)C(F)(F)C(O)C1.
What is the InChIKey of 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid?
The InChIKey is QQDKULXBZXQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO4/c7-6(8)3(10)1-9(5(12)13)2-4(6)11/h3-4,10-11H,1-2H2,(H,12,13).
What are the key properties of 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid?
4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid has a molecular weight of 197.14 g/mol, XLogP of -0.66, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,5-dihydroxypiperidine-1-carboxylic acid is sourced from PubChem (CID 121378544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).