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

C10H15F3N2O4 — CID 55251438

IUPAC2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-14-9(18)15-3-1-7(2-4-15)19-5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFBQYTRDZVYBBPI-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.82
Rot. Bonds4

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

2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 55251438) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
PubChem CID55251438
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O4/c11-10(12,13)6-14-9(18)15-3-1-7(2-4-15)19-5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17)
InChIKeyFBQYTRDZVYBBPI-UHFFFAOYSA-N
XLogP0.82
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid (CID 55251438) is 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is FBQYTRDZVYBBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c11-10(12,13)6-14-9(18)15-3-1-7(2-4-15)19-5-8(16)17/h7H,1-6H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 284.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 55251438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).