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

C10H16F3NO3 — CID 55251664

IUPAC3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14-4-1-8(2-5-14)17-6-3-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyKMISIJZKCZWQHN-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds5

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

3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid (PubChem CID 55251664) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid
PubChem CID55251664
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid
SMILESO=C(O)CCOC1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)7-14-4-1-8(2-5-14)17-6-3-9(15)16/h8H,1-7H2,(H,15,16)
InChIKeyKMISIJZKCZWQHN-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid?
The IUPAC name of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid (CID 55251664) is 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid is O=C(O)CCOC1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid?
The InChIKey is KMISIJZKCZWQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)7-14-4-1-8(2-5-14)17-6-3-9(15)16/h8H,1-7H2,(H,15,16).
What are the key properties of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid?
3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypropanoic acid is sourced from PubChem (CID 55251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).