3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid

C11H16F3NO5 — CID 63876506

IUPAC3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)7-20-10(18)15-4-1-8(2-5-15)19-6-3-9(16)17/h8H,1-7H2,(H,16,17)
InChIKeyIUPAVQRMSCYFPF-UHFFFAOYSA-N
MW299.25 g/mol
LogP1.64
Rot. Bonds5

About 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid

3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 63876506) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
PubChem CID63876506
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Name3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(C(=O)OCC(F)(F)F)CC1
InChIInChI=1S/C11H16F3NO5/c12-11(13,14)7-20-10(18)15-4-1-8(2-5-15)19-6-3-9(16)17/h8H,1-7H2,(H,16,17)
InChIKeyIUPAVQRMSCYFPF-UHFFFAOYSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid (CID 63876506) is 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(C(=O)OCC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is IUPAVQRMSCYFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO5/c12-11(13,14)7-20-10(18)15-4-1-8(2-5-15)19-6-3-9(16)17/h8H,1-7H2,(H,16,17).
What are the key properties of 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 299.25 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethoxycarbonyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 63876506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).