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

C13H16F3NO — CID 146522036

IUPAC1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO/c1-9(2)17-7-3-4-10-8-11(5-6-12(10)17)18-13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyGEUHRKXOWCGSEZ-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.75
Rot. Bonds2

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

1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline (PubChem CID 146522036) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
PubChem CID146522036
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
SMILESCC(C)N1CCCc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO/c1-9(2)17-7-3-4-10-8-11(5-6-12(10)17)18-13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyGEUHRKXOWCGSEZ-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.75
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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Related Compounds

1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
2,2-dimethyl-3-oxo-3-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 60530285
2-propan-2-yl-5-(trifluoromethoxy)-3H-isoindol-1-one
CID 172605277
(2R)-N-tert-butyl-2-[6-(difluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]propanamide
CID 94590779
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
CID 37202880
N-methyl-N-propan-2-yl-4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]benzenesulfonamide
CID 55671604
5-(1-propan-2-yl-3,4-dihydro-2H-quinolin-6-yl)hexa-2,4-dienal
CID 54148633
N-(2-cyano-3-methylbutan-2-yl)-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 55682705
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
5-(2-methyl-2-nitrosopropoxy)-1-propan-2-yl-2,3-dihydroindole
CID 167253761
1-propan-2-yl-6-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 177122967
1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-quinoline
CID 142617795

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline (CID 146522036) is 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline is CC(C)N1CCCc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is GEUHRKXOWCGSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9(2)17-7-3-4-10-8-11(5-6-12(10)17)18-13(14,15)16/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline?
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline has a molecular weight of 259.27 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 146522036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).