2-chloro-3-methoxy-8-(trifluoromethyl)quinoline

C11H7ClF3NO — CID 117246675

IUPAC2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
SMILESCOc1cc2cccc(C(F)(F)F)c2nc1Cl
InChIInChI=1S/C11H7ClF3NO/c1-17-8-5-6-3-2-4-7(11(13,14)15)9(6)16-10(8)12/h2-5H,1H3
InChIKeyQGDVHUMTNXALOS-UHFFFAOYSA-N
MW261.63 g/mol
LogP3.92
Rot. Bonds1

About 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline

2-chloro-3-methoxy-8-(trifluoromethyl)quinoline (PubChem CID 117246675) has the molecular formula C11H7ClF3NO and a molecular weight of 261.63 g/mol. Its IUPAC name is 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
PubChem CID117246675
Molecular FormulaC11H7ClF3NO
Molecular Weight261.63 g/mol
Exact Mass261.02
IUPAC Name2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
SMILESCOc1cc2cccc(C(F)(F)F)c2nc1Cl
InChIInChI=1S/C11H7ClF3NO/c1-17-8-5-6-3-2-4-7(11(13,14)15)9(6)16-10(8)12/h2-5H,1H3
InChIKeyQGDVHUMTNXALOS-UHFFFAOYSA-N
XLogP3.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.63
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
8-bromo-2-chloro-3-methoxyquinoline
CID 88869143
3-chloro-2,8-bis(trifluoromethyl)quinoline
CID 22730365
8-chloro-2-(2-chlorophenyl)-3-methoxyquinoline;2,8-dichloro-3-methoxyquinoline
CID 160951827
2-chloro-3-methoxy-6-(trifluoromethyl)quinoline
CID 117246626
2-chloro-8-fluoro-3-methoxyquinoline;N-[(2-chloro-8-fluoroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 161227326
4-chloro-5-methoxy-2-(trifluoromethyl)quinoline
CID 621514
4-(4-chloro-2-methoxyphenyl)-2-methyl-8-(trifluoromethyl)quinazoline
CID 174590763
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
2,3-dichloro-8-(trichloromethyl)quinoline
CID 174740506
4-chloro-8-methoxy-2-(trifluoromethyl)quinazoline
CID 34176280
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline?
The IUPAC name of 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline (CID 117246675) is 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline?
The canonical SMILES for 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline is COc1cc2cccc(C(F)(F)F)c2nc1Cl.
What is the InChIKey of 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline?
The InChIKey is QGDVHUMTNXALOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3NO/c1-17-8-5-6-3-2-4-7(11(13,14)15)9(6)16-10(8)12/h2-5H,1H3.
What are the key properties of 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline?
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline has a molecular weight of 261.63 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methoxy-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 117246675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).