6,7,8,9-Tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one
Basic information
- CAS
53518-16-4- Standard SMILES
O=c1cc(C(F)(F)F)c2cc3c(cc2o1)NCCC3- InChIKey
XJDJBMLMMBPNGL-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO2
- Average molar mass
- 269.22 g/mol
- Monoisotopic mass
- 269.06636305
Names & identifiers
- Preferred name
- 6,7,8,9-Tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one
- IUPAC
- 4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
- English name
- coumarin-340
- Molecular formula
- C13H10F3NO2
- Molecular weight
- 269.22
Names & synonyms
Coumarin 34053518-16-42H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-NBQ7XX6HZB4-(trifluoromethyl)-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-oneNSC 369289NSC-369289DTXSID50688632H-Pyrano(3,2-g)quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-6,7,8,9-Tetrahydro-4-(trifluoromethyl)-2H-pyrano(3,2-g)quinolin-2-one4-(TRIFLUOROMETHYL)-6,7,8,9-TETRAHYDROPYRANO(3,2-G)QUINOLIN-2-ONE6,7,8,9-Tetrahydro-4-(trifluoromethyl)-2H-pyrano[3,2-g]quinolin-2-one
Show more names
C-4Fcoumarin-340
RefChem:538579DTXCID8041458NSC369289CHEMBL2680984-(Trifluoromethyl)-6,7,8,9-tetrahydro-2H-pyrano[3,2-g]quinolin-2-one4-Trifluoromethyl-5,6,7,8-tetrahydro-1-oxa-8-aza-anthracen-2-oneUNII-NBQ7XX6HZBSCHEMBL29474210
Database identifiers
- CAS
53518-16-4- PubChem CID
- 100790
- DTXSID
DTXSID5068863- ChEMBL
CHEMBL268098- UNII
- NBQ7XX6HZB
- Nikkaji
- J308.194J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- FDA UNII
- 7 XX6HZB · NBQ7XX6HZB
- EPA Substance Registry System
- 2 H-Pyrano[3,2-g]quinolin-2-one, · 2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)- (53518-16-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2H-Pyrano[3,2-g]quinolin-2-one, 6,7,8,9-tetrahydro-4-(trifluoromethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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