piperidin-3-yl 2,2,2-trifluoroacetate

C7H10F3NO2 — CID 22357484

IUPACpiperidin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(12)13-5-2-1-3-11-4-5/h5,11H,1-4H2
InChIKeyFQUGXJHYBHYBRT-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds1

About piperidin-3-yl 2,2,2-trifluoroacetate

piperidin-3-yl 2,2,2-trifluoroacetate (PubChem CID 22357484) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is piperidin-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namepiperidin-3-yl 2,2,2-trifluoroacetate
PubChem CID22357484
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namepiperidin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(12)13-5-2-1-3-11-4-5/h5,11H,1-4H2
InChIKeyFQUGXJHYBHYBRT-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of piperidin-3-yl 2,2,2-trifluoroacetate (CID 22357484) is piperidin-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for piperidin-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for piperidin-3-yl 2,2,2-trifluoroacetate is O=C(OC1CCCNC1)C(F)(F)F.
What is the InChIKey of piperidin-3-yl 2,2,2-trifluoroacetate?
The InChIKey is FQUGXJHYBHYBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(12)13-5-2-1-3-11-4-5/h5,11H,1-4H2.
What are the key properties of piperidin-3-yl 2,2,2-trifluoroacetate?
piperidin-3-yl 2,2,2-trifluoroacetate has a molecular weight of 197.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 22357484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).