2-Ethoxy-4-(trifluoromethyl)pteridine
Basic information
- CAS
32706-08-4- Standard SMILES
CCOc1nc(C(F)(F)F)c2nccnc2n1- InChIKey
KTNRVWFGOOZSTG-UHFFFAOYSA-N- Molecular formula
- C9H7F3N4O
- Average molar mass
- 244.17 g/mol
- Monoisotopic mass
- 244.05719535
Names & identifiers
- Preferred name
- 2-Ethoxy-4-(trifluoromethyl)pteridine
- IUPAC
- 2-ethoxy-4-(trifluoromethyl)pteridine
- English name
- 4-Trifluoromethyl-2-ethoxypteridine
- Molecular formula
- C9H7F3N4O
- Molecular weight
- 244.17
Names & synonyms
2-Ethoxy-4-(trifluoromethyl)pteridine32706-08-4DTXSID10343536RefChem:260332DTXCID102946154-Trifluoromethyl-2-ethoxypteridinePteridine, 2-ethoxy-4-(trifluoromethyl)-KTNRVWFGOOZSTG-UHFFFAOYSA-N2-Ethoxy-4-(trifluoromethyl)pteridine #
Database identifiers
- CAS
32706-08-4- PubChem CID
- 590331
- DTXSID
DTXSID10343536- Nikkaji
- J103.133C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Boiling point
- 331.1 · 331.1±52.0 °C(Predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Predicted)
- pka
- -1.34 · -1.34±0.70(Predicted)
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Compound notes
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