ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate

C10H16F3NO2 — CID 28869439

IUPACethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-4-3-5-14(6-8)7-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyCVCURFIHQGOGMI-MRVPVSSYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds3

About ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate

ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate (PubChem CID 28869439) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
PubChem CID28869439
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-4-3-5-14(6-8)7-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1
InChIKeyCVCURFIHQGOGMI-MRVPVSSYSA-N
XLogP1.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate (CID 28869439) is ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(F)(F)F)C1.
What is the InChIKey of ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
The InChIKey is CVCURFIHQGOGMI-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-9(15)8-4-3-5-14(6-8)7-10(11,12)13/h8H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate?
ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxylate is sourced from PubChem (CID 28869439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).