ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

C10H16F3NO2 — CID 19622894

IUPACethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-3-5-14(6-4-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyHABROCUKQIDAGZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.82
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (PubChem CID 19622894) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
PubChem CID19622894
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-3-5-14(6-4-8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyHABROCUKQIDAGZ-UHFFFAOYSA-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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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Piperidinium, 1,1-dimethyl-4-(hydroxymethyl)-, iodide, acetate
CID 3038581
Ethyl 1-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 20754609
Ethyl 1-methylpiperidine-4-carboxylate hydrochloride
CID 52991957
Butan-2-yl 1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylate
CID 601868

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (CID 19622894) is ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The InChIKey is HABROCUKQIDAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-9(15)8-3-5-14(6-4-8)7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
ethyl 1-(2,2,2-trifluoroethyl)piperidine-4-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 1-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is sourced from PubChem (CID 19622894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).