6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,4-dihydroquinazolin-2(1H)-one
Basic information
- Standard SMILES
O=C1NCc2cc(C(F)(C(F)(F)F)C(F)(F)F)ccc2N1- InChIKey
ROSJFKNKMNDWGU-UHFFFAOYSA-N- Molecular formula
- C11H7F7N2O
- Average molar mass
- 316.17 g/mol
- Monoisotopic mass
- 316.04465999
Names & identifiers
- Preferred name
- 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,4-dihydroquinazolin-2(1H)-one
- IUPAC
- 6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,4-dihydro-1H-quinazolin-2-one
Names & synonyms
DTXSID2013450236-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3,4-dihydroquinazolin-2(1H)-one
Database identifiers
- PubChem CID
- 165362016
- DTXSID
DTXSID201345023
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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