2,2,2-trifluoro-1-quinolin-6-ylethanone

C11H6F3NO — CID 66466769

IUPAC2,2,2-trifluoro-1-quinolin-6-ylethanone
SMILESO=C(c1ccc2ncccc2c1)C(F)(F)F
InChIInChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-4-9-7(6-8)2-1-5-15-9/h1-6H
InChIKeyAUHGPHLLGNVHFO-UHFFFAOYSA-N
MW225.17 g/mol
LogP2.98
Rot. Bonds1

About 2,2,2-trifluoro-1-quinolin-6-ylethanone

2,2,2-trifluoro-1-quinolin-6-ylethanone (PubChem CID 66466769) has the molecular formula C11H6F3NO and a molecular weight of 225.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-quinolin-6-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-quinolin-6-ylethanone
PubChem CID66466769
Molecular FormulaC11H6F3NO
Molecular Weight225.17 g/mol
Exact Mass225.04
IUPAC Name2,2,2-trifluoro-1-quinolin-6-ylethanone
SMILESO=C(c1ccc2ncccc2c1)C(F)(F)F
InChIInChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-4-9-7(6-8)2-1-5-15-9/h1-6H
InChIKeyAUHGPHLLGNVHFO-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

ethane;quinoline-6-carboxylic acid
CID 91364452
ethyl 2,2-difluoro-3-oxo-3-quinolin-6-ylpropanoate
CID 63095632
2-methyl-2-piperidin-1-yl-1-quinolin-6-ylpropan-1-one
CID 81198324
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
1-quinolin-6-ylethenyl trifluoromethanesulfonate
CID 86683105
2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
CID 170553040
(5-fluoro-3-pyridinyl)-quinolin-6-ylmethanone
CID 55180884
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
N-(3,3,3-trifluoro-2-hydroxypropyl)quinoline-6-carboxamide
CID 103726459
6-[(E)-1-fluoroprop-1-enyl]quinoline
CID 173227059
2-amino-2-methyl-1-quinolin-7-ylpropan-1-one
CID 116560118
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-quinolin-6-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-quinolin-6-ylethanone (CID 66466769) is 2,2,2-trifluoro-1-quinolin-6-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-quinolin-6-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-quinolin-6-ylethanone is O=C(c1ccc2ncccc2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-quinolin-6-ylethanone?
The InChIKey is AUHGPHLLGNVHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO/c12-11(13,14)10(16)8-3-4-9-7(6-8)2-1-5-15-9/h1-6H.
What are the key properties of 2,2,2-trifluoro-1-quinolin-6-ylethanone?
2,2,2-trifluoro-1-quinolin-6-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-6-ylethanone is sourced from PubChem (CID 66466769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).