[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate

C9H14F3NO3 — CID 66686155

IUPAC[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-7(14)16-13-4-2-8(3-5-13)15-6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyRYLWGNVRCPTRGP-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.51
Rot. Bonds3

About [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate

[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate (PubChem CID 66686155) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate
PubChem CID66686155
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate
SMILESCC(=O)ON1CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c1-7(14)16-13-4-2-8(3-5-13)15-6-9(10,11)12/h8H,2-6H2,1H3
InChIKeyRYLWGNVRCPTRGP-UHFFFAOYSA-N
XLogP1.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate?
The IUPAC name of [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate (CID 66686155) is [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate?
The canonical SMILES for [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate is CC(=O)ON1CCC(OCC(F)(F)F)CC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate?
The InChIKey is RYLWGNVRCPTRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-7(14)16-13-4-2-8(3-5-13)15-6-9(10,11)12/h8H,2-6H2,1H3.
What are the key properties of [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate?
[4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate has a molecular weight of 241.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxy)piperidin-1-yl] acetate is sourced from PubChem (CID 66686155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).