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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Related Compounds

2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
CID 175841093
2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
CID 171108154
4-phenyl-1,3-dihydrobenzo[f]quinolin-2-one
CID 152780748
4-hydroxy-1-phenyl-3-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
CID 166465000
2,2,2-trifluoro-1-(4-hydroxy-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5,7,9(16),10,12,14-heptaen-3-yl)ethanone
CID 175841087
gadolinium;1-hydroxy-4-phenyl-2-(2,2,2-trifluoroacetyl)benzo[f]quinolin-3-one;dihydrate
CID 177066561
2,2,2-trifluoro-1-(3-hydroxy-4-phenylbenzo[h]quinolin-2-yl)ethanone
CID 175841112
2,2-dibromo-2-fluoro-1-naphthalen-1-ylethanone
CID 175439147
2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
CID 177471607
(E)-1,1,1-trifluoro-4-hydroxy-4-naphthalen-1-ylbut-3-en-2-one
CID 67502188
13-methyl-12,14-bis(trifluoromethylsulfonyl)-12,14-diaza-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 16689015
2,2,2-trifluoro-1-[1-[2-[N-[(1R)-1-phenylethyl]-C-(trifluoromethyl)carbonimidoyl]naphthalen-1-yl]naphthalen-2-yl]ethanone
CID 102441221

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).