[6-(trifluoromethyl)piperidin-3-yl] acetate

C8H12F3NO2 — CID 174720712

IUPAC[6-(trifluoromethyl)piperidin-3-yl] acetate
SMILESCC(=O)OC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C8H12F3NO2/c1-5(13)14-6-2-3-7(12-4-6)8(9,10)11/h6-7,12H,2-4H2,1H3
InChIKeyYFIKABLNLVYHFS-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.23
Rot. Bonds1

About [6-(trifluoromethyl)piperidin-3-yl] acetate

[6-(trifluoromethyl)piperidin-3-yl] acetate (PubChem CID 174720712) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is [6-(trifluoromethyl)piperidin-3-yl] acetate.

Molecular Properties

Compound Name[6-(trifluoromethyl)piperidin-3-yl] acetate
PubChem CID174720712
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name[6-(trifluoromethyl)piperidin-3-yl] acetate
SMILESCC(=O)OC1CCC(C(F)(F)F)NC1
InChIInChI=1S/C8H12F3NO2/c1-5(13)14-6-2-3-7(12-4-6)8(9,10)11/h6-7,12H,2-4H2,1H3
InChIKeyYFIKABLNLVYHFS-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)piperidin-3-yl] acetate?
The IUPAC name of [6-(trifluoromethyl)piperidin-3-yl] acetate (CID 174720712) is [6-(trifluoromethyl)piperidin-3-yl] acetate.
What is the SMILES notation for [6-(trifluoromethyl)piperidin-3-yl] acetate?
The canonical SMILES for [6-(trifluoromethyl)piperidin-3-yl] acetate is CC(=O)OC1CCC(C(F)(F)F)NC1.
What is the InChIKey of [6-(trifluoromethyl)piperidin-3-yl] acetate?
The InChIKey is YFIKABLNLVYHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-5(13)14-6-2-3-7(12-4-6)8(9,10)11/h6-7,12H,2-4H2,1H3.
What are the key properties of [6-(trifluoromethyl)piperidin-3-yl] acetate?
[6-(trifluoromethyl)piperidin-3-yl] acetate has a molecular weight of 211.18 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)piperidin-3-yl] acetate is sourced from PubChem (CID 174720712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).