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

C10H14F3NO5 — CID 63876501

IUPAC2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO5/c11-10(12,13)6-19-9(17)14-3-1-7(2-4-14)18-5-8(15)16/h7H,1-6H2,(H,15,16)
InChIKeyYDAALDRTFOXHCT-UHFFFAOYSA-N
MW285.22 g/mol
LogP1.25
Rot. Bonds4

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

2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63876501) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63876501
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Name2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO5/c11-10(12,13)6-19-9(17)14-3-1-7(2-4-14)18-5-8(15)16/h7H,1-6H2,(H,15,16)
InChIKeyYDAALDRTFOXHCT-UHFFFAOYSA-N
XLogP1.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((1-((Tert-butoxy)carbonyl)piperidin-4-yl)oxy)acetic acid
CID 1502082
4-(3,3,3-Trifluoro-2-hydroxypropoxy)piperidine-1-carboxylic acid
CID 123845382
2-(3,5-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134533988
2-(3-Fluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534000
2-(3,3,5,5-Tetrafluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 134534001
2-(3,3-Difluoro-1-methylpiperidin-4-yl)oxyacetic acid
CID 134534012
2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)oxyacetic acid
CID 139341811
2-(1-Ethyl-3,3-difluoropiperidin-4-yl)oxyacetic acid
CID 142350552
2-(1-Ethyl-3,3,5,5-tetrafluoropiperidin-4-yl)oxyacetic acid
CID 155049753
2-(1-Ethyl-3,5-difluoropiperidin-4-yl)oxyacetic acid
CID 166828234
2-((1-(tert-Butoxycarbonyl)piperidin-4-yl)oxy)-2-oxoacetic acid
CID 138967384
2-[1-(2,2,2-Trifluoroethylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 55251438

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid (CID 63876501) is 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is YDAALDRTFOXHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c11-10(12,13)6-19-9(17)14-3-1-7(2-4-14)18-5-8(15)16/h7H,1-6H2,(H,15,16).
What are the key properties of 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 285.22 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63876501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).