1-(trifluoromethyl)-3,4-dihydro-2H-quinoline

C10H10F3N — CID 66710105

IUPAC1-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)N1CCCc2ccccc21
InChIInChI=1S/C10H10F3N/c11-10(12,13)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2
InChIKeyOGQICCQUEOWVQF-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.96
Rot. Bonds

About 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline

1-(trifluoromethyl)-3,4-dihydro-2H-quinoline (PubChem CID 66710105) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(trifluoromethyl)-3,4-dihydro-2H-quinoline
PubChem CID66710105
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name1-(trifluoromethyl)-3,4-dihydro-2H-quinoline
SMILESFC(F)(F)N1CCCc2ccccc21
InChIInChI=1S/C10H10F3N/c11-10(12,13)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2
InChIKeyOGQICCQUEOWVQF-UHFFFAOYSA-N
XLogP2.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline (CID 66710105) is 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline is FC(F)(F)N1CCCc2ccccc21.
What is the InChIKey of 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is OGQICCQUEOWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-10(12,13)14-7-3-5-8-4-1-2-6-9(8)14/h1-2,4,6H,3,5,7H2.
What are the key properties of 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline?
1-(trifluoromethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 201.19 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 66710105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).