5-(2,2,3,3,4,4,4-Heptafluorobutoxy)quinazoline-2,4-diamine
Basic information
- Standard SMILES
Nc1nc(N)c2c(OCC(F)(F)C(F)(F)C(F)(F)F)cccc2n1- InChIKey
QKGCIYPUSHICIA-UHFFFAOYSA-N- Molecular formula
- C12H9F7N4O
- Average molar mass
- 358.21 g/mol
- Monoisotopic mass
- 358.06645806
Names & identifiers
- Preferred name
- 5-(2,2,3,3,4,4,4-Heptafluorobutoxy)quinazoline-2,4-diamine
- IUPAC
- 5-(2,2,3,3,4,4,4-heptafluorobutoxy)quinazoline-2,4-diamine
Names & synonyms
5-(2,2,3,3,4,4,4-heptafluorobutoxy)quinazoline-2,4-diamineDTXSID701368698
Database identifiers
- PubChem CID
- 461906
- DTXSID
DTXSID701368698
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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