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

C9H12F3NO4 — CID 63869715

IUPAC2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)8(16)13-3-1-6(2-4-13)17-5-7(14)15/h6H,1-5H2,(H,14,15)
InChIKeyMQYVLYAVIKRWOD-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.64
Rot. Bonds3

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

2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869715) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869715
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)8(16)13-3-1-6(2-4-13)17-5-7(14)15/h6H,1-5H2,(H,14,15)
InChIKeyMQYVLYAVIKRWOD-UHFFFAOYSA-N
XLogP0.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid (CID 63869715) is 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is MQYVLYAVIKRWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)8(16)13-3-1-6(2-4-13)17-5-7(14)15/h6H,1-5H2,(H,14,15).
What are the key properties of 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 255.19 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).