2,2,2-trifluoro-1-quinolin-5-ylethanone

C11H6F3NO — CID 81220183

IUPAC2,2,2-trifluoro-1-quinolin-5-ylethanone
SMILESO=C(c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-1-5-9-7(8)4-2-6-15-9/h1-6H
InChIKeyHEEWLZARAYSSFQ-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.98
Rot. Bonds1

About 2,2,2-trifluoro-1-quinolin-5-ylethanone

2,2,2-trifluoro-1-quinolin-5-ylethanone (PubChem CID 81220183) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-quinolin-5-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-quinolin-5-ylethanone
PubChem CID81220183
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name2,2,2-trifluoro-1-quinolin-5-ylethanone
SMILESO=C(c1cccc2ncccc12)C(F)(F)F
InChIInChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-1-5-9-7(8)4-2-6-15-9/h1-6H
InChIKeyHEEWLZARAYSSFQ-UHFFFAOYSA-N
XLogP2.98
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
2,2-dimethyl-1-quinolin-5-ylpropan-1-one
CID 81220250
3,3,3-trifluoro-1-quinolin-5-ylpropan-1-one
CID 81220780
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
2,2,2-trifluoro-1-(8-methylquinolin-5-yl)ethanone
CID 137346972
N-quinolin-5-yl-2-(trifluoromethyl)benzamide
CID 26242319
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
2,2-dimethyl-1-quinolin-4-ylpropan-1-one
CID 12913278
1-quinolin-5-ylbut-3-yn-1-one
CID 105076404
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]quinoline-5-carboxamide
CID 26063547
N-(3-bromo-2,2-dimethylpropyl)quinoline-5-carboxamide
CID 115364916

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-quinolin-5-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-quinolin-5-ylethanone (CID 81220183) is 2,2,2-trifluoro-1-quinolin-5-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-quinolin-5-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-quinolin-5-ylethanone is O=C(c1cccc2ncccc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-quinolin-5-ylethanone?
The InChIKey is HEEWLZARAYSSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-1-5-9-7(8)4-2-6-15-9/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-quinolin-5-ylethanone?
2,2,2-trifluoro-1-quinolin-5-ylethanone has a molecular weight of 225.17 g/mol, XLogP of 2.98, 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-quinolin-5-ylethanone is sourced from PubChem (CID 81220183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).