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

C21H14F3NO — CID 175841093

IUPAC2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
SMILESO=C(C1=Cc2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C21H14F3NO/c22-21(23,24)20(26)15-12-18-17-9-5-4-6-14(17)10-11-19(18)25(13-15)16-7-2-1-3-8-16/h1-12H,13H2
InChIKeyWEPKSUPTCBOBOC-UHFFFAOYSA-N
MW353.34 g/mol
LogP5.51
Rot. Bonds2

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

2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone (PubChem CID 175841093) has the molecular formula C21H14F3NO and a molecular weight of 353.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
PubChem CID175841093
Molecular FormulaC21H14F3NO
Molecular Weight353.34 g/mol
Exact Mass353.10
IUPAC Name2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone
SMILESO=C(C1=Cc2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C21H14F3NO/c22-21(23,24)20(26)15-12-18-17-9-5-4-6-14(17)10-11-19(18)25(13-15)16-7-2-1-3-8-16/h1-12H,13H2
InChIKeyWEPKSUPTCBOBOC-UHFFFAOYSA-N
XLogP5.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.34
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone (CID 175841093) is 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone is O=C(C1=Cc2c(ccc3ccccc23)N(c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
The InChIKey is WEPKSUPTCBOBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO/c22-21(23,24)20(26)15-12-18-17-9-5-4-6-14(17)10-11-19(18)25(13-15)16-7-2-1-3-8-16/h1-12H,13H2.
What are the key properties of 2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone?
2,2,2-trifluoro-1-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone has a molecular weight of 353.34 g/mol, XLogP of 5.51, 2 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-(4-phenyl-3H-benzo[f]quinolin-2-yl)ethanone is sourced from PubChem (CID 175841093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).