6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline

C17H11ClF3NO — CID 150029905

IUPAC6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H11ClF3NO/c18-12-6-7-15-14(8-12)13(11-4-2-1-3-5-11)9-16(22-15)23-10-17(19,20)21/h1-9H,10H2
InChIKeyDHALBXCHBUEBPW-UHFFFAOYSA-N
MW337.73 g/mol
LogP5.50
Rot. Bonds3

About 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline

6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline (PubChem CID 150029905) has the molecular formula C17H11ClF3NO and a molecular weight of 337.73 g/mol. Its IUPAC name is 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline.

Molecular Properties

Compound Name6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline
PubChem CID150029905
Molecular FormulaC17H11ClF3NO
Molecular Weight337.73 g/mol
Exact Mass337.05
IUPAC Name6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline
SMILESFC(F)(F)COc1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C17H11ClF3NO/c18-12-6-7-15-14(8-12)13(11-4-2-1-3-5-11)9-16(22-15)23-10-17(19,20)21/h1-9H,10H2
InChIKeyDHALBXCHBUEBPW-UHFFFAOYSA-N
XLogP5.50
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.73
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline?
The IUPAC name of 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline (CID 150029905) is 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline.
What is the SMILES notation for 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline?
The canonical SMILES for 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline is FC(F)(F)COc1cc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline?
The InChIKey is DHALBXCHBUEBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO/c18-12-6-7-15-14(8-12)13(11-4-2-1-3-5-11)9-16(22-15)23-10-17(19,20)21/h1-9H,10H2.
What are the key properties of 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline?
6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline has a molecular weight of 337.73 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-2-(2,2,2-trifluoroethoxy)quinoline is sourced from PubChem (CID 150029905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).