2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone

C21H14F3NO2 — CID 175841128

IUPAC2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)16-12-25(14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)18(17)19(16)26/h1-11,26H,12H2
InChIKeyVOBZIFLBQIIQHV-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.39
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone

2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone (PubChem CID 175841128) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
PubChem CID175841128
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)20(27)16-12-25(14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)18(17)19(16)26/h1-11,26H,12H2
InChIKeyVOBZIFLBQIIQHV-UHFFFAOYSA-N
XLogP5.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone (CID 175841128) is 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone is O=C(C1=C(O)c2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The InChIKey is VOBZIFLBQIIQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c22-21(23,24)20(27)16-12-25(14-7-2-1-3-8-14)17-11-10-13-6-4-5-9-15(13)18(17)19(16)26/h1-11,26H,12H2.
What are the key properties of 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone has a molecular weight of 369.34 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-hydroxy-4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone is sourced from PubChem (CID 175841128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).