ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate

C13H18F3NO3 — CID 66889290

IUPACethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(F)C(C)C2(F)F)CC1
InChIInChI=1S/C13H18F3NO3/c1-3-20-10(18)9-4-6-17(7-5-9)11(19)12(14)8(2)13(12,15)16/h8-9H,3-7H2,1-2H3
InChIKeyDYHDTFDISNJYSP-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.78
Rot. Bonds3

About ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate

ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 66889290) has the molecular formula C13H18F3NO3 and a molecular weight of 293.29 g/mol. Its IUPAC name is ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID66889290
Molecular FormulaC13H18F3NO3
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Nameethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(F)C(C)C2(F)F)CC1
InChIInChI=1S/C13H18F3NO3/c1-3-20-10(18)9-4-6-17(7-5-9)11(19)12(14)8(2)13(12,15)16/h8-9H,3-7H2,1-2H3
InChIKeyDYHDTFDISNJYSP-UHFFFAOYSA-N
XLogP1.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate (CID 66889290) is ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(F)C(C)C2(F)F)CC1.
What is the InChIKey of ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is DYHDTFDISNJYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c1-3-20-10(18)9-4-6-17(7-5-9)11(19)12(14)8(2)13(12,15)16/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate?
ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 293.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1,2,2-trifluoro-3-methylcyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 66889290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).