Basic information
- Standard SMILES
OC(c1ccc(OC(F)(F)F)cc1)(c1ccc(F)c(Br)c1)C1NC=CCN1- InChIKey
MFOWZPTUSRRPRV-UHFFFAOYSA-N- Molecular formula
- C18H15BrF4N2O2
- Average molar mass
- 447.2 g/mol
- Monoisotopic mass
- 446.0253
Names & identifiers
- Preferred name
- 1-(3-Bromo-4-fluorophenyl)-1-(tetrahydropyrimidin-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanol
- IUPAC
- (3-bromo-4-fluorophenyl)-(1,2,3,4-tetrahydropyrimidin-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
Names & synonyms
1-(3-Bromo-4-fluorophenyl)-1-(tetrahydropyrimidin-2-yl)-1-[4-(trifluoromethoxy)phenyl]methanolSCHEMBL4065041
Database identifiers
- PubChem CID
- 68898580
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 53.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Related reactions
1 records
Compound notes
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