6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one

C10H7F3N2O3 — CID 70170910

IUPAC6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCC([N+](=O)[O-])=C2
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h3-4H,1-2H2,(H,14,16)
InChIKeyXCCJAHRGOSEMLF-UHFFFAOYSA-N
MW260.17 g/mol
LogP1.96
Rot. Bonds1

About 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one

6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one (PubChem CID 70170910) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
PubChem CID70170910
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one
SMILESO=c1cc(C(F)(F)F)c2c([nH]1)CCC([N+](=O)[O-])=C2
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h3-4H,1-2H2,(H,14,16)
InChIKeyXCCJAHRGOSEMLF-UHFFFAOYSA-N
XLogP1.96
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one (CID 70170910) is 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one is O=c1cc(C(F)(F)F)c2c([nH]1)CCC([N+](=O)[O-])=C2.
What is the InChIKey of 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
The InChIKey is XCCJAHRGOSEMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c11-10(12,13)7-4-9(16)14-8-2-1-5(15(17)18)3-6(7)8/h3-4H,1-2H2,(H,14,16).
What are the key properties of 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one?
6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one has a molecular weight of 260.17 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-4-(trifluoromethyl)-7,8-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70170910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).