Basic information
- CAS
23658-21-1- Standard SMILES
Cc1cnc2c(n1)NC=NC2(O)C(F)(F)F- InChIKey
ITMYZFLHQDFPKK-UHFFFAOYSA-N- Molecular formula
- C8H7F3N4O
- Average molar mass
- 232.16 g/mol
- Monoisotopic mass
- 232.05719535
Names & identifiers
- Preferred name
- 7-methyl-4-(trifluoromethyl)-1H-pteridin-4-ol
- IUPAC
- 7-methyl-4-(trifluoromethyl)-1H-pteridin-4-ol
- English name
- 3,4-Dihydro-7-methyl-4-(trifluoromethyl)-4-pteridinol
- Molecular formula
- C8H7F3N4O
- Molecular weight
- 232.16
Names & synonyms
7-methyl-4-(trifluoromethyl)-1H-pteridin-4-ol23658-21-1DTXSID60344351RefChem:311058DTXCID702954263,4-Dihydro-7-methyl-4-(trifluoromethyl)-4-pteridinol4-Pteridinol, 3,4-dihydro-7-methyl-4-(trifluoromethyl)-ITMYZFLHQDFPKK-UHFFFAOYSA-N7-Methyl-4-(trifluoromethyl)-1,4-dihydropteridin-4-ol7-Methyl-4-(trifluoromethyl)-3,4-dihydro-4-pteridinol #
Database identifiers
- CAS
23658-21-1- PubChem CID
- 596123
- DTXSID
DTXSID60344351- Nikkaji
- J124.224E
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Boiling point
- 306.3 · 306.3±52.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 8.42 · 8.42±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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