4-(1,1-difluoroethyl)piperidine-4-carboxylic acid

C8H13F2NO2 — CID 84772593

IUPAC4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CCNCC1
InChIInChI=1S/C8H13F2NO2/c1-7(9,10)8(6(12)13)2-4-11-5-3-8/h11H,2-5H2,1H3,(H,12,13)
InChIKeyZCSVDAGMOBWRGU-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.10
Rot. Bonds2

About 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid

4-(1,1-difluoroethyl)piperidine-4-carboxylic acid (PubChem CID 84772593) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
PubChem CID84772593
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
SMILESCC(F)(F)C1(C(=O)O)CCNCC1
InChIInChI=1S/C8H13F2NO2/c1-7(9,10)8(6(12)13)2-4-11-5-3-8/h11H,2-5H2,1H3,(H,12,13)
InChIKeyZCSVDAGMOBWRGU-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid (CID 84772593) is 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid is CC(F)(F)C1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid?
The InChIKey is ZCSVDAGMOBWRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-7(9,10)8(6(12)13)2-4-11-5-3-8/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid?
4-(1,1-difluoroethyl)piperidine-4-carboxylic acid has a molecular weight of 193.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 84772593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).