4-Chloro-2-fluoro-5,5-dimethoxy-4-methylpentanenitrile

HCID 13537529
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Basic information

Standard SMILES
COC(OC)C(C)(Cl)CC(F)C#N
InChIKey
ZTKRSQKVCDTGKK-UHFFFAOYSA-N
Molecular formula
C8H13ClFNO2
Average molar mass
209.64 g/mol

Names & identifiers

Preferred name
4-Chloro-2-fluoro-5,5-dimethoxy-4-methylpentanenitrile
IUPAC
4-chloro-2-fluoro-5,5-dimethoxy-4-methylpentanenitrile

Names & synonyms

SCHEMBL10941153ZTKRSQKVCDTGKK-UHFFFAOYSA-N4-chloro-2-fluoro-5,5-dimethoxy-4-methylpentanenitrile

Database identifiers

PubChem CID
13537529

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
42.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
13

Related reactions

2 records
New reaction record

Linked notes

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