1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one

C12H8F3NO — CID 2054578

IUPAC1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2
InChIKeyLVPPHTPGIQXDGP-UHFFFAOYSA-N
MW239.20 g/mol
LogP2.91
Rot. Bonds2

About 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one

1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one (PubChem CID 2054578) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one.

Molecular Properties

Compound Name1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one
PubChem CID2054578
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one
SMILESO=C(Cc1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2
InChIKeyLVPPHTPGIQXDGP-UHFFFAOYSA-N
XLogP2.91
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-Acridinecarboxaldehyde
CID 98663
1-(4-Amino-2-methylquinolin-3-yl)ethanone
CID 672297
2-Benzoylquinoline
CID 727029
2-Butylquinoline
CID 459597
2-Propylquinoline
CID 74166
2-Quinolinecarboxaldehyde
CID 79619
2-Methylquinoline-4-carboxamide
CID 85122
2-Methylquinoline-8-carboxamide
CID 21195867
3-(2-Chloroquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 6112225
3-(Quinolin-2-yl)propanoic acid
CID 264313
6-Fluoro-2-methylquinoline
CID 70784
2-Fluoroquinoline
CID 160532

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one?
The IUPAC name of 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one (CID 2054578) is 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one.
What is the SMILES notation for 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one?
The canonical SMILES for 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one is O=C(Cc1ccc2ccccc2n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one?
The InChIKey is LVPPHTPGIQXDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11(17)7-9-6-5-8-3-1-2-4-10(8)16-9/h1-6H,7H2.
What are the key properties of 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one?
1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one has a molecular weight of 239.20 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-quinolin-2-ylpropan-2-one is sourced from PubChem (CID 2054578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).