ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate

C14H20F3NO3 — CID 90017730

IUPACethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C14H20F3NO3/c1-2-21-11(19)10-4-8-18(9-5-10)12(20)13(6-3-7-13)14(15,16)17/h10H,2-9H2,1H3
InChIKeySABBFVWMIYCPKH-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.52
Rot. Bonds3

About ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate

ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate (PubChem CID 90017730) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate
PubChem CID90017730
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Nameethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1
InChIInChI=1S/C14H20F3NO3/c1-2-21-11(19)10-4-8-18(9-5-10)12(20)13(6-3-7-13)14(15,16)17/h10H,2-9H2,1H3
InChIKeySABBFVWMIYCPKH-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate (CID 90017730) is ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2(C(F)(F)F)CCC2)CC1.
What is the InChIKey of ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate?
The InChIKey is SABBFVWMIYCPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-2-21-11(19)10-4-8-18(9-5-10)12(20)13(6-3-7-13)14(15,16)17/h10H,2-9H2,1H3.
What are the key properties of ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate?
ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate has a molecular weight of 307.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 90017730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).