ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

C10H14F3NO4 — CID 135152147

IUPACethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4/c1-2-17-8(15)7-3-5-14(6-4-7)18-9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyCYFRNEYHZPHPAQ-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.28
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate

ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (PubChem CID 135152147) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
PubChem CID135152147
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Nameethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(OC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO4/c1-2-17-8(15)7-3-5-14(6-4-7)18-9(16)10(11,12)13/h7H,2-6H2,1H3
InChIKeyCYFRNEYHZPHPAQ-UHFFFAOYSA-N
XLogP1.28
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 18071331
Ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
CID 19622894
Ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
(1-Methylpiperidin-4-yl)methyl 2,2,3,3,3-pentafluoropropanoate
CID 59648834
Methyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 60690089
4-O-ethyl 1-O-(2,2,2-trifluoroethyl) piperidine-1,4-dicarboxylate
CID 60705855
Ethyl 4-ethyl-1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 66988010
Ethyl 1-(5,5,5-trifluoropentyl)piperidine-4-carboxylate
CID 67263556
[4-(Methoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69488055
[4-(1-Methoxybutoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69678323
[4-(5-Methoxypentoxymethyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69679516
Methyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 69704932

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate (CID 135152147) is ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is CCOC(=O)C1CCN(OC(=O)C(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
The InChIKey is CYFRNEYHZPHPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-2-17-8(15)7-3-5-14(6-4-7)18-9(16)10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate?
ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate has a molecular weight of 269.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate is sourced from PubChem (CID 135152147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).