4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline

C13H11ClF3NO2 — CID 62319927

IUPAC4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline
SMILESCOCc1cc(Cl)c2cccc(OCC(F)(F)F)c2n1
InChIInChI=1S/C13H11ClF3NO2/c1-19-6-8-5-10(14)9-3-2-4-11(12(9)18-8)20-7-13(15,16)17/h2-5H,6-7H2,1H3
InChIKeySRNMICWTQZUYOL-UHFFFAOYSA-N
MW305.68 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline

4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 62319927) has the molecular formula C13H11ClF3NO2 and a molecular weight of 305.68 g/mol. Its IUPAC name is 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline
PubChem CID62319927
Molecular FormulaC13H11ClF3NO2
Molecular Weight305.68 g/mol
Exact Mass305.04
IUPAC Name4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline
SMILESCOCc1cc(Cl)c2cccc(OCC(F)(F)F)c2n1
InChIInChI=1S/C13H11ClF3NO2/c1-19-6-8-5-10(14)9-3-2-4-11(12(9)18-8)20-7-13(15,16)17/h2-5H,6-7H2,1H3
InChIKeySRNMICWTQZUYOL-UHFFFAOYSA-N
XLogP3.98
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.68
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline (CID 62319927) is 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline is COCc1cc(Cl)c2cccc(OCC(F)(F)F)c2n1.
What is the InChIKey of 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is SRNMICWTQZUYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3NO2/c1-19-6-8-5-10(14)9-3-2-4-11(12(9)18-8)20-7-13(15,16)17/h2-5H,6-7H2,1H3.
What are the key properties of 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline?
4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 305.68 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(methoxymethyl)-8-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 62319927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).