2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol

C13H12F3NO2 — CID 50877449

IUPAC2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
SMILESCc1cc(OCCO)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C13H12F3NO2/c1-8-6-12(19-5-4-18)10-7-9(13(14,15)16)2-3-11(10)17-8/h2-3,6-7,18H,4-5H2,1H3
InChIKeyFAPGMMORJGDNMI-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.93
Rot. Bonds3

About 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol

2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol (PubChem CID 50877449) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
PubChem CID50877449
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol
SMILESCc1cc(OCCO)c2cc(C(F)(F)F)ccc2n1
InChIInChI=1S/C13H12F3NO2/c1-8-6-12(19-5-4-18)10-7-9(13(14,15)16)2-3-11(10)17-8/h2-3,6-7,18H,4-5H2,1H3
InChIKeyFAPGMMORJGDNMI-UHFFFAOYSA-N
XLogP2.93
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-(trifluoromethyl)quinoline;ethane
CID 145015225
N-hydroxy-2-methyl-6-(trifluoromethyl)quinoline-4-carboxamide
CID 82574503
2-[2-(aminomethyl)-4-(trifluoromethyl)phenoxy]ethanol
CID 43153652
2-methyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)quinolin-4-amine
CID 155541385
(3R,4R)-4-(hydroxymethyl)-1-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]piperidin-3-ol
CID 155914575
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-methylquinoline-4-carboxamide
CID 26177646
2-methyl-4-prop-2-enoxyquinoline-6-carboxylic acid
CID 102536835
2-(6-methylquinolin-4-yl)oxyethanol
CID 50877423
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)quinoline
CID 121236001
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
6-bromo-4-[(Z)-3-chlorobut-2-enoxy]-2-methylquinoline
CID 838422

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol?
The IUPAC name of 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol (CID 50877449) is 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol.
What is the SMILES notation for 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol?
The canonical SMILES for 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol is Cc1cc(OCCO)c2cc(C(F)(F)F)ccc2n1.
What is the InChIKey of 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol?
The InChIKey is FAPGMMORJGDNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-8-6-12(19-5-4-18)10-7-9(13(14,15)16)2-3-11(10)17-8/h2-3,6-7,18H,4-5H2,1H3.
What are the key properties of 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol?
2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol has a molecular weight of 271.24 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-(trifluoromethyl)quinolin-4-yl]oxyethanol is sourced from PubChem (CID 50877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).