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Ethyl 2,2-difluorotetradecanoate

HCID 537259
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Basic information

CAS
151309-48-7
Standard SMILES
CCCCCCCCCCCCC(F)(F)C(=O)OCC
InChIKey
BFZPJRCHANBANN-UHFFFAOYSA-N
Molecular formula
C16H30F2O2
Average molar mass
292.4 g/mol
Monoisotopic mass
292.22138652

Names & identifiers

Preferred name
Ethyl 2,2-difluorotetradecanoate
IUPAC
ethyl 2,2-difluorotetradecanoate
English name
2,2-Difluoroheptacosanoic acid, ethyl(ester)
Molecular formula
C16H30F2O2
Molecular weight
292.4

Names & synonyms

Ethyl 2,2-difluorotetradecanoate2,2-Difluoroheptacosanoic acid, ethyl(ester)151309-48-7SCHEMBL8864348Ethyl 2,2-difluorotetradecanoate #A1-25027Tetradecanoic acid, 2,2-difluoro-, ethyl ester

Database identifiers

CAS
151309-48-7
PubChem CID
537259
Nikkaji
J3.360.308H

Properties

Computed structural propertiesFilling in

XLogP
7.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
14
Heavy atoms
20
Formal charge
0
Complexity
243

Related reactions

3 records
New reaction record
HRID 205286 reaction equation
HRID 205286As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1780722 reaction equation
HRID 1780722As productuspto-grants-1997_05
HRID 2210874 reaction equation
HRID 2210874As productuspto-grants-1995_10

Compound notes

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