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10,11-dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cyclohepten-5-one

HCID 20373376
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
O=C1c2ccccc2C(F)(F)C(F)(F)c2ccccc21
InChIKey
FEKPKDSKKAWXDK-UHFFFAOYSA-N
Molecular formula
C15H8F4O
Average molar mass
280.22 g/mol
Monoisotopic mass
280.05112752

Names & identifiers

Preferred name
10,11-dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cyclohepten-5-one
IUPAC
9,9,10,10-tetrafluorotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one

Names & synonyms

10,11-dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]cyclohepten-5-oneSCHEMBL1158646410,11-dihydro-10,10,11,11tetrafluoro-5H-dibenzo[a,d]cyclohepten-5-one10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d] cyclohepten-5-one10,11-Dihydro-10,10,11,11-tetrafluoro-5H-dibenzo[a,d]-cyclohepten-5-one

Database identifiers

PubChem CID
20373376

Properties

Computed structural properties

XLogP
4
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
0
Heavy atoms
20
Formal charge
0
Complexity
371

Related reactions

19 records
New reaction record
HRID 181875 reaction equation
HRID 181875As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 329229 reaction equation
HRID 329229As reactantuspto-grants-1977_04
HRID 329230 reaction equation
HRID 329230As productuspto-grants-1977_04
HRID 329231 reaction equation
HRID 329231As productuspto-grants-1977_04
HRID 329232 reaction equation
HRID 329232As reactantuspto-grants-1977_04
HRID 1282891 reaction equation
HRID 1282891As productuspto-grants-1976_08
HRID 1282892 reaction equation
HRID 1282892As productuspto-grants-1976_08
HRID 1282893 reaction equation
HRID 1282893As reactantuspto-grants-1976_08
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Compound notes

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