3-ethyl-6-(trifluoromethoxy)quinoline

C12H10F3NO — CID 163899089

IUPAC3-ethyl-6-(trifluoromethoxy)quinoline
SMILESCCc1cnc2ccc(OC(F)(F)F)cc2c1
InChIInChI=1S/C12H10F3NO/c1-2-8-5-9-6-10(17-12(13,14)15)3-4-11(9)16-7-8/h3-7H,2H2,1H3
InChIKeyQIFGXLNTBPUTNE-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.70
Rot. Bonds2

About 3-ethyl-6-(trifluoromethoxy)quinoline

3-ethyl-6-(trifluoromethoxy)quinoline (PubChem CID 163899089) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-ethyl-6-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name3-ethyl-6-(trifluoromethoxy)quinoline
PubChem CID163899089
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name3-ethyl-6-(trifluoromethoxy)quinoline
SMILESCCc1cnc2ccc(OC(F)(F)F)cc2c1
InChIInChI=1S/C12H10F3NO/c1-2-8-5-9-6-10(17-12(13,14)15)3-4-11(9)16-7-8/h3-7H,2H2,1H3
InChIKeyQIFGXLNTBPUTNE-UHFFFAOYSA-N
XLogP3.70
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-7-methoxyquinoline
CID 14361549
3-(bromomethyl)-6-ethylquinoline
CID 95733003
6-ethoxy-3-fluoroquinoline
CID 90101959
[3-methyl-6-(trifluoromethoxy)quinolin-2-yl]methanamine
CID 82245488
ethane;2-ethyl-6-(trifluoromethoxy)-3H-quinazolin-4-one
CID 144970353
ethyl 2,2-difluoro-2-[6-(trifluoromethoxy)quinoxalin-2-yl]acetate
CID 71143405
1-ethyl-6,7-dimethoxy-4-[[6-(trifluoromethylsulfanyloxy)quinolin-3-yl]methyl]isoquinoline
CID 144620267
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2-(4-ethylphenyl)-6-(trifluoromethoxy)quinoline-4-carboxylic acid
CID 4303527
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
3-ethylquinoline;quinoline
CID 174966721

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(trifluoromethoxy)quinoline?
The IUPAC name of 3-ethyl-6-(trifluoromethoxy)quinoline (CID 163899089) is 3-ethyl-6-(trifluoromethoxy)quinoline.
What is the SMILES notation for 3-ethyl-6-(trifluoromethoxy)quinoline?
The canonical SMILES for 3-ethyl-6-(trifluoromethoxy)quinoline is CCc1cnc2ccc(OC(F)(F)F)cc2c1.
What is the InChIKey of 3-ethyl-6-(trifluoromethoxy)quinoline?
The InChIKey is QIFGXLNTBPUTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-2-8-5-9-6-10(17-12(13,14)15)3-4-11(9)16-7-8/h3-7H,2H2,1H3.
What are the key properties of 3-ethyl-6-(trifluoromethoxy)quinoline?
3-ethyl-6-(trifluoromethoxy)quinoline has a molecular weight of 241.21 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(trifluoromethoxy)quinoline is sourced from PubChem (CID 163899089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).