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2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-

HCID 98712
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
35474-70-5
Standard SMILES
O=C1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2CCC1C2
InChIKey
OFBNFLKOUJGNRK-UHFFFAOYSA-N
Molecular formula
C10H8Cl2F4O
Average molar mass
291.07 g/mol
Monoisotopic mass
289.9888329

Names & identifiers

Preferred name
2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-
IUPAC
3-(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-one

Names & synonyms

35474-70-5NSC 162062BRN 21462482-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-3-((2-Chloro-2,2-difluoro-1-(chlorodifluoro)methyl)ethylidene)bicyclo(2.2.1)heptane-2-oneRefChem:264442NSC162062CHEMBL2005480DTXSID10956882NSC-1620623-(1,3-dichloro-1,1,3,3-tetrafluoropropan-2-ylidene)bicyclo[2.2.1]heptan-2-oneNCI60_001206
Show more names
Bicyclo[2.2.1]heptan-2-one,2-difluoroethylidene]-3-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoroethylidene)bicyclo[2.2.1]heptan-2-one3-[2-chloro-1-[chloro(difluoro)methyl]-2,2-difluoro-ethylidene]norbornan-2-one{Bicyclo[2.2.1]heptan-2-one,} {3-[2-chloro-1-(chlorodifluoromethyl)-2,2-difluoroethylidene]-}

Database identifiers

CAS
35474-70-5
PubChem CID
98712
DTXSID
DTXSID10956882
ChEMBL
CHEMBL2005480
Nikkaji
J64.716K

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
389

Related reactions

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Compound notes

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