Basic information
- CAS
2733027-86-4- Standard SMILES
O=C(CCCOC1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1- InChIKey
PGMFLPWBXFDTAX-UHFFFAOYSA-N- Molecular formula
- C31H32ClF2NO3
- Average molar mass
- 540 g/mol
- Monoisotopic mass
- 539.2038779
Names & identifiers
- Preferred name
- O-(1-(4-Fluorophenyl)butan-1-one) Haloperidol
- IUPAC
- 4-[4-(4-chlorophenyl)-4-[4-(4-fluorophenyl)-4-oxobutoxy]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
Names & synonyms
4-((4-(4-Chlorophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl)oxy)-1-(4-fluorophenyl)butan-1-oneO-(1-(4-Fluorophenyl)butan-1-one) HaloperidolF7K6ZWR2TT2733027-86-4
Database identifiers
- CAS
2733027-86-4- PubChem CID
- 125347331
- UNII
- F7K6ZWR2TT
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 735
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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