Basic information
- CAS
179334-12-4- Standard SMILES
O=C(c1ccc(C(F)(F)F)cc1)N1CCNCC1- InChIKey
QBTRUOBOJNFCSN-UHFFFAOYSA-N- Molecular formula
- C12H13F3N2O
- Average molar mass
- 258.24 g/mol
- Monoisotopic mass
- 258.09799753
Names & identifiers
- Preferred name
- 1-Piperazinyl(4-(trifluoromethyl)phenyl)methanone
- IUPAC
- piperazin-1-yl-[4-(trifluoromethyl)phenyl]methanone
- English name
- 1-[4-(Trifluoromethyl)benzoyl]piperazine
- Molecular formula
- C12H13F3N2O
- Molecular weight
- 258.24
Names & synonyms
179334-12-41-Piperazinyl[4-(trifluoromethyl)phenyl]methanone1-Piperazinyl(4-(trifluoromethyl)phenyl)methanoneRefChem:2341211-[4-(TRIFLUOROMETHYL)BENZOYL]PIPERAZINEpiperazin-1-yl-[4-(trifluoromethyl)phenyl]methanonepiperazin-1-yl(4-(trifluoromethyl)phenyl)methanoneMFCD073928181-([4-(TRIFLUOROMETHYL)PHENYL]CARBONYL)PIPERAZINESCHEMBL2091099SCHEMBL5373079DTXSID60424607
Show more names
Methanone, 1-piperazinyl[4-(trifluoromethyl)phenyl]-
QBTRUOBOJNFCSN-UHFFFAOYSA-NGS3291AKOS000125923NCGC00334107-01DB-391184EN300-31334H82694AB01326734-02
Database identifiers
- CAS
179334-12-4- PubChem CID
- 6489232
- DTXSID
DTXSID60424607
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 356.2 · 356.2±42.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
- pka
- 8.28 · 8.28±0.10(Predicted)
Chemistry & industry
Suppliers5 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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