4-(trifluoromethoxy)quinoline

C10H6F3NO — CID 118835416

IUPAC4-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1ccnc2ccccc12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-6-14-8-4-2-1-3-7(8)9/h1-6H
InChIKeyMLTSODFKWJDMLM-UHFFFAOYSA-N
MW213.16 g/mol
LogP3.13
Rot. Bonds1

About 4-(trifluoromethoxy)quinoline

4-(trifluoromethoxy)quinoline (PubChem CID 118835416) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 4-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name4-(trifluoromethoxy)quinoline
PubChem CID118835416
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name4-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1ccnc2ccccc12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-6-14-8-4-2-1-3-7(8)9/h1-6H
InChIKeyMLTSODFKWJDMLM-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)quinoline?
The IUPAC name of 4-(trifluoromethoxy)quinoline (CID 118835416) is 4-(trifluoromethoxy)quinoline.
What is the SMILES notation for 4-(trifluoromethoxy)quinoline?
The canonical SMILES for 4-(trifluoromethoxy)quinoline is FC(F)(F)Oc1ccnc2ccccc12.
What is the InChIKey of 4-(trifluoromethoxy)quinoline?
The InChIKey is MLTSODFKWJDMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)15-9-5-6-14-8-4-2-1-3-7(8)9/h1-6H.
What are the key properties of 4-(trifluoromethoxy)quinoline?
4-(trifluoromethoxy)quinoline has a molecular weight of 213.16 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)quinoline is sourced from PubChem (CID 118835416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).