Basic information
- CAS
145657-36-9- Standard SMILES
CC1(C)CC(=O)C=C(Nc2ccccc2F)C1- InChIKey
NSVGOUMJUPQQKS-UHFFFAOYSA-N- Molecular formula
- C14H16FNO
- Average molar mass
- 233.28 g/mol
- Monoisotopic mass
- 233.1215923
Names & identifiers
- Preferred name
- 2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-
- IUPAC
- 3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-one
- English name
- 3-((2-FLUOROPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
- Molecular formula
- C14H16FNO
- Molecular weight
- 233.28
Names & synonyms
145657-36-93-(2-Fluoroanilino)-5,5-dimethyl-2-cyclohexen-1-one2-Cyclohexen-1-one, 3-((2-fluorophenyl)amino)-5,5-dimethyl-3-((2-Fluorophenyl)amino)-5,5-dimethyl-2-cyclohexen-1-oneDTXSID701631312-Cyclohexen-1-one, 3-[(2-fluorophenyl)amino]-5,5-dimethyl-RefChem:259787DTXCID40856223-[(2-fluorophenyl)amino]-5,5-dimethylcyclohex-2-en-1-one3-(2-fluoroanilino)-5,5-dimethylcyclohex-2-en-1-oneMFCD002451033-((2-FLUOROPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
Show more names
3-[(2-Fluorophenyl)amino]-5,5-dimethyl-2-cyclohexen-1-one2-cyclohexen-1-one, 3-[(2-fluorophenyl)amino]-5,5-dimethyl
MLS0001097303-((2-Fluorophenyl)amino)-5,5-dimethylcyclohex-2-enoneSMR0001056693-(2-fluoroanilino)-5,5-dimethyl-cyclohex-2-en-1-onecid_685191CHEMBL1362534BDBM68654HMS1693L20
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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