1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline

C12H14F3NO — CID 129301440

IUPAC1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-2-16-7-3-4-9-8-10(5-6-11(9)16)17-12(13,14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyPGLHQCQQIRDIES-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.36
Rot. Bonds2

About 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline

1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline (PubChem CID 129301440) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
PubChem CID129301440
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
SMILESCCN1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-2-16-7-3-4-9-8-10(5-6-11(9)16)17-12(13,14)15/h5-6,8H,2-4,7H2,1H3
InChIKeyPGLHQCQQIRDIES-UHFFFAOYSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline (CID 129301440) is 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline is CCN1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is PGLHQCQQIRDIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-16-7-3-4-9-8-10(5-6-11(9)16)17-12(13,14)15/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline has a molecular weight of 245.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 129301440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).