2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid

C10H16F2N2O4 — CID 113303933

IUPAC2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O4/c11-8(12)5-13-10(17)14-3-1-7(2-4-14)18-6-9(15)16/h7-8H,1-6H2,(H,13,17)(H,15,16)
InChIKeyOBAWFUBOJJVSJR-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.53
Rot. Bonds5

About 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid

2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 113303933) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID113303933
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Name2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)F)CC1
InChIInChI=1S/C10H16F2N2O4/c11-8(12)5-13-10(17)14-3-1-7(2-4-14)18-6-9(15)16/h7-8H,1-6H2,(H,13,17)(H,15,16)
InChIKeyOBAWFUBOJJVSJR-UHFFFAOYSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 113303933) is 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NCC(F)F)CC1.
What is the InChIKey of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is OBAWFUBOJJVSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c11-8(12)5-13-10(17)14-3-1-7(2-4-14)18-6-9(15)16/h7-8H,1-6H2,(H,13,17)(H,15,16).
What are the key properties of 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 266.24 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 113303933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).