ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate

C18H18F4N2O2 — CID 2823571

IUPACethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1
InChIInChI=1S/C18H18F4N2O2/c1-2-26-17(25)11-6-8-24(9-7-11)14-10-15(18(20,21)22)23-16-12(14)4-3-5-13(16)19/h3-5,10-11H,2,6-9H2,1H3
InChIKeyQTUUMLMKFQNLHY-UHFFFAOYSA-N
MW370.35 g/mol
LogP4.17
Rot. Bonds3

About ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate

ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate (PubChem CID 2823571) has the molecular formula C18H18F4N2O2 and a molecular weight of 370.35 g/mol. Its IUPAC name is ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
PubChem CID2823571
Molecular FormulaC18H18F4N2O2
Molecular Weight370.35 g/mol
Exact Mass370.13
IUPAC Nameethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1
InChIInChI=1S/C18H18F4N2O2/c1-2-26-17(25)11-6-8-24(9-7-11)14-10-15(18(20,21)22)23-16-12(14)4-3-5-13(16)19/h3-5,10-11H,2,6-9H2,1H3
InChIKeyQTUUMLMKFQNLHY-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate (CID 2823571) is ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C(F)(F)F)nc3c(F)cccc23)CC1.
What is the InChIKey of ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
The InChIKey is QTUUMLMKFQNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O2/c1-2-26-17(25)11-6-8-24(9-7-11)14-10-15(18(20,21)22)23-16-12(14)4-3-5-13(16)19/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate?
ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate has a molecular weight of 370.35 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[8-fluoro-2-(trifluoromethyl)quinolin-4-yl]piperidine-4-carboxylate is sourced from PubChem (CID 2823571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).