3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one

HCID 3019012

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Basic information

CAS: 81760-57-8
Standard SMILES: CCCCN(CCCC)CCC(=O)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12
InChIKey: WPDNKUOFRLJSGF-UHFFFAOYSA-N
Molecular formula: C26H28Cl2F3NO
Average molar mass: 498.4 g/mol
Monoisotopic mass: 497.1500044

Names & identifiers

Preferred name: 3-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one
IUPAC: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-one
English name: 3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-one
Molecular formula: C26H28Cl2F3NO
Molecular weight: 498.4078296

Names & synonyms

81760-57-8EINECS 279-810-33-(Dibutylamino)-1-(1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl)propan-1-one3-(DIBUTYLAMINO)-1-[1,3-DICHLORO-6-(TRIFLUOROMETHYL)-9-PHENANTHRYL]PROPAN-1-ONE3-(dibutylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-oneDTXSID501002189NS000603363-Dibutylamino-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-1-propanone

Database identifiers

CAS: 81760-57-8
PubChem CID: 3019012
DTXSID: DTXSID501002189
EC Number: 279-810-3
Nikkaji: J296.112A

Properties

Computed structural properties

XLogP: 8.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 33
Formal charge: 0
Complexity: 623

Chemistry & industry

Suppliers1 total

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