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8-Difluoromethoxychroman-4-one

HCID 22708346
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CCOc2c(OC(F)F)cccc21
InChIKey
CYFXUJCVAKVERX-UHFFFAOYSA-N
Molecular formula
C10H8F2O3
Average molar mass
214.16 g/mol

Names & identifiers

Preferred name
8-Difluoromethoxychroman-4-one
IUPAC
8-(difluoromethoxy)-2,3-dihydrochromen-4-one

Names & synonyms

8-(Difluoromethoxy)chroman-4-one8-Difluoromethoxychroman-4-one276697-88-2SCHEMBL5400102MFCD18648405SY403043

Database identifiers

PubChem CID
22708346

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
245

Related reactions

3 records
New reaction record
HRID 353248 reaction equation
HRID 353248As reactantuspto-grants-2004_06
HRID 1294480 reaction equation
HRID 1294480As reactantuspto-grants-2007_07
HRID 1570466 reaction equation
HRID 1570466As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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