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4-[(4-Fluorophenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

HCID 20060648
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC1(C)OCC(COc2ccc(F)cc2)O1
InChIKey
LAHQLGXFWFVYBF-UHFFFAOYSA-N
Molecular formula
C12H15FO3
Average molar mass
226.24 g/mol

Names & identifiers

Preferred name
4-[(4-Fluorophenoxy)methyl]-2,2-dimethyl-1,3-dioxolane
IUPAC
4-[(4-fluorophenoxy)methyl]-2,2-dimethyl-1,3-dioxolane

Names & synonyms

SCHEMBL9774733

Database identifiers

PubChem CID
20060648

Properties

Computed structural propertiesFilling in

XLogP
2.3
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
224

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Related reactions

2 records
New reaction record
HRID 1221054 reaction equation
HRID 1221054As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2348963 reaction equation
HRID 2348963As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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