2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone

C12H8F3NO — CID 137346972

IUPAC2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
SMILESCc1ccc(C(=O)C(F)(F)F)c2cccnc12
InChIInChI=1S/C12H8F3NO/c1-7-4-5-9(11(17)12(13,14)15)8-3-2-6-16-10(7)8/h2-6H,1H3
InChIKeyOZWQYWWVIQWRBS-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.29
Rot. Bonds1

About 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone

2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone (PubChem CID 137346972) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
PubChem CID137346972
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
SMILESCc1ccc(C(=O)C(F)(F)F)c2cccnc12
InChIInChI=1S/C12H8F3NO/c1-7-4-5-9(11(17)12(13,14)15)8-3-2-6-16-10(7)8/h2-6H,1H3
InChIKeyOZWQYWWVIQWRBS-UHFFFAOYSA-N
XLogP3.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[2-methyl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951468
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
2,2,2-trifluoro-1-[8-(propan-2-ylamino)-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
CID 23243558
2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
CID 10916138
1-(2-acetyl-3-pyridinyl)ethanone;5,8-dimethylquinoline;ethane;molecular iodine
CID 159054412
2,2,2-trifluoro-1-[2-propan-2-yl-4-(trifluoromethyl)pyrido[3,2-h]quinazolin-6-yl]ethanone
CID 100951470
2,2,2-trifluoro-1-[2-phenyl-3-(trifluoromethyl)thieno[3,2-h]quinolin-5-yl]ethanone
CID 11811950
1-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-2,2,2-trifluoroethanone
CID 2768415
6-methyl-2-(8-methylquinolin-5-yl)pyridine-3-carboxamide
CID 119061492
2,4,6-trimethyl-N-(8-methylquinolin-5-yl)benzamide
CID 112812579
(8-methylquinolin-5-yl)methanamine
CID 51072174
8-methyl-5-(6-methyl-2-propan-2-ylpyrimidin-4-yl)quinoline;2,2,2-trifluoroacetic acid
CID 154887334

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone (CID 137346972) is 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone is Cc1ccc(C(=O)C(F)(F)F)c2cccnc12.
What is the InChIKey of 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone?
The InChIKey is OZWQYWWVIQWRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c1-7-4-5-9(11(17)12(13,14)15)8-3-2-6-16-10(7)8/h2-6H,1H3.
What are the key properties of 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone?
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone has a molecular weight of 239.20 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone is sourced from PubChem (CID 137346972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).