1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

C18H15F4NO2 — CID 55614499

IUPAC1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H15F4NO2/c19-13-7-8-15-12(10-13)4-3-9-23(15)17(24)11-25-16-6-2-1-5-14(16)18(20,21)22/h1-2,5-8,10H,3-4,9,11H2
InChIKeyHSMCXNXFUGNBKV-UHFFFAOYSA-N
MW353.32 g/mol
LogP4.20
Rot. Bonds3

About 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (PubChem CID 55614499) has the molecular formula C18H15F4NO2 and a molecular weight of 353.32 g/mol. Its IUPAC name is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
PubChem CID55614499
Molecular FormulaC18H15F4NO2
Molecular Weight353.32 g/mol
Exact Mass353.10
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone
SMILESO=C(COc1ccccc1C(F)(F)F)N1CCCc2cc(F)ccc21
InChIInChI=1S/C18H15F4NO2/c19-13-7-8-15-12(10-13)4-3-9-23(15)17(24)11-25-16-6-2-1-5-14(16)18(20,21)22/h1-2,5-8,10H,3-4,9,11H2
InChIKeyHSMCXNXFUGNBKV-UHFFFAOYSA-N
XLogP4.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110714230
2-(2-tert-butylphenoxy)-1-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55661331
2-(2-chlorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24655671
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
2-(2-bromophenoxy)-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 41163763
2-(2-tert-butyl-4-methylphenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3285362
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842352
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-4-(methylamino)butan-1-one;hydrochloride
CID 119718833
2-(5-fluoro-2-nitrophenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24526048
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-chloro-5-fluorobenzoate
CID 71823603

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The IUPAC name of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone (CID 55614499) is 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone.
What is the SMILES notation for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The canonical SMILES for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is O=C(COc1ccccc1C(F)(F)F)N1CCCc2cc(F)ccc21.
What is the InChIKey of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
The InChIKey is HSMCXNXFUGNBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4NO2/c19-13-7-8-15-12(10-13)4-3-9-23(15)17(24)11-25-16-6-2-1-5-14(16)18(20,21)22/h1-2,5-8,10H,3-4,9,11H2.
What are the key properties of 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone?
1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone has a molecular weight of 353.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-[2-(trifluoromethyl)phenoxy]ethanone is sourced from PubChem (CID 55614499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).