6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline

C16H8Cl2F3NO — CID 632116

IUPAC6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Oc2ccc(Cl)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H8Cl2F3NO/c17-9-1-4-11(5-2-9)23-14-8-15(16(19,20)21)22-13-6-3-10(18)7-12(13)14/h1-8H
InChIKeyIAYQANJTHHCWRR-UHFFFAOYSA-N
MW358.15 g/mol
LogP6.35
Rot. Bonds2

About 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline

6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline (PubChem CID 632116) has the molecular formula C16H8Cl2F3NO and a molecular weight of 358.15 g/mol. Its IUPAC name is 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline
PubChem CID632116
Molecular FormulaC16H8Cl2F3NO
Molecular Weight358.15 g/mol
Exact Mass356.99
IUPAC Name6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline
SMILESFC(F)(F)c1cc(Oc2ccc(Cl)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C16H8Cl2F3NO/c17-9-1-4-11(5-2-9)23-14-8-15(16(19,20)21)22-13-6-3-10(18)7-12(13)14/h1-8H
InChIKeyIAYQANJTHHCWRR-UHFFFAOYSA-N
XLogP6.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.15
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline?
The IUPAC name of 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline (CID 632116) is 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline is FC(F)(F)c1cc(Oc2ccc(Cl)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline?
The InChIKey is IAYQANJTHHCWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl2F3NO/c17-9-1-4-11(5-2-9)23-14-8-15(16(19,20)21)22-13-6-3-10(18)7-12(13)14/h1-8H.
What are the key properties of 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline?
6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline has a molecular weight of 358.15 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(4-chlorophenoxy)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 632116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).