5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid

C7H11F2NO3 — CID 172798789

IUPAC5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)CCC1CO
InChIInChI=1S/C7H11F2NO3/c8-7(9)2-1-5(3-11)10(4-7)6(12)13/h5,11H,1-4H2,(H,12,13)
InChIKeyQOJSWSKLXWLGJK-UHFFFAOYSA-N
MW195.16 g/mol
LogP0.76
Rot. Bonds1

About 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid

5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid (PubChem CID 172798789) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
PubChem CID172798789
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CC(F)(F)CCC1CO
InChIInChI=1S/C7H11F2NO3/c8-7(9)2-1-5(3-11)10(4-7)6(12)13/h5,11H,1-4H2,(H,12,13)
InChIKeyQOJSWSKLXWLGJK-UHFFFAOYSA-N
XLogP0.76
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The IUPAC name of 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid (CID 172798789) is 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid is O=C(O)N1CC(F)(F)CCC1CO.
What is the InChIKey of 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid?
The InChIKey is QOJSWSKLXWLGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-7(9)2-1-5(3-11)10(4-7)6(12)13/h5,11H,1-4H2,(H,12,13).
What are the key properties of 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid?
5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-(hydroxymethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 172798789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).