3-Amino-5-(4-fluorophenyl)cyclohex-2-en-1-one
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Basic information
- CAS
604000-06-8- Standard SMILES
NC1=CC(=O)CC(c2ccc(F)cc2)C1- InChIKey
IOCWCEJXBHOQSW-UHFFFAOYSA-N- Molecular formula
- C12H12FNO
- Average molar mass
- 205.23 g/mol
- Monoisotopic mass
- 205.09029217
Names & identifiers
- Preferred name
- 3-Amino-5-(4-fluorophenyl)cyclohex-2-en-1-one
- IUPAC
- 3-amino-5-(4-fluorophenyl)cyclohex-2-en-1-one
- English name
- 3-Amino-5-(4-fluorophenyl)cyclohex-2-en-1-one
- Molecular formula
- C12H12FNO
- Molecular weight
- 205.23
Names & synonyms
3-amino-5-(4-fluorophenyl)cyclohex-2-en-1-one604000-06-85-Amino-4'-fluoro-1,6-dihydro-[1,1'-biphenyl]-3(2H)-oneMFCD132733642-Cyclohexen-1-one, 3-amino-5-(4-fluorophenyl)-ALBB-016958SBB083187AKOS002659409AKOS016041970LS-05367CS-0331650H31827
Show more names
3-Amino-5-(4-fluoro-phenyl)-cyclohex-2-enone
Database identifiers
- CAS
604000-06-8- PubChem CID
- 43826590
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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