1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one

C15H8F3NO2 — CID 175841143

IUPAC1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
SMILESO=C(n1c(=O)ccc2ccc3ccccc3c21)C(F)(F)F
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)14(21)19-12(20)8-7-10-6-5-9-3-1-2-4-11(9)13(10)19/h1-8H
InChIKeyWYOXLCOHOSYMKY-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.36
Rot. Bonds

About 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one

1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one (PubChem CID 175841143) has the molecular formula C15H8F3NO2 and a molecular weight of 291.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
PubChem CID175841143
Molecular FormulaC15H8F3NO2
Molecular Weight291.23 g/mol
Exact Mass291.05
IUPAC Name1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
SMILESO=C(n1c(=O)ccc2ccc3ccccc3c21)C(F)(F)F
InChIInChI=1S/C15H8F3NO2/c16-15(17,18)14(21)19-12(20)8-7-10-6-5-9-3-1-2-4-11(9)13(10)19/h1-8H
InChIKeyWYOXLCOHOSYMKY-UHFFFAOYSA-N
XLogP3.36
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one (CID 175841143) is 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one is O=C(n1c(=O)ccc2ccc3ccccc3c21)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one?
The InChIKey is WYOXLCOHOSYMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3NO2/c16-15(17,18)14(21)19-12(20)8-7-10-6-5-9-3-1-2-4-11(9)13(10)19/h1-8H.
What are the key properties of 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one?
1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one has a molecular weight of 291.23 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one is sourced from PubChem (CID 175841143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).