2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride

C16H11ClF3NO — CID 162334552

IUPAC2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C16H10F3NO.ClH/c17-16(18,19)21-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)20-14;/h1-10H;1H
InChIKeyFGCFTMWRCHHXTK-UHFFFAOYSA-N
MW325.72 g/mol
LogP5.22
Rot. Bonds2

About 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride

2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride (PubChem CID 162334552) has the molecular formula C16H11ClF3NO and a molecular weight of 325.72 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
PubChem CID162334552
Molecular FormulaC16H11ClF3NO
Molecular Weight325.72 g/mol
Exact Mass325.05
IUPAC Name2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride
SMILESCl.FC(F)(F)Oc1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C16H10F3NO.ClH/c17-16(18,19)21-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)20-14;/h1-10H;1H
InChIKeyFGCFTMWRCHHXTK-UHFFFAOYSA-N
XLogP5.22
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.72
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride?
The IUPAC name of 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride (CID 162334552) is 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride.
What is the SMILES notation for 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride?
The canonical SMILES for 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride is Cl.FC(F)(F)Oc1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride?
The InChIKey is FGCFTMWRCHHXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO.ClH/c17-16(18,19)21-15-8-4-2-6-12(15)14-10-9-11-5-1-3-7-13(11)20-14;/h1-10H;1H.
What are the key properties of 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride?
2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride has a molecular weight of 325.72 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)phenyl]quinoline;hydrochloride is sourced from PubChem (CID 162334552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).