Completing data — usually done within a minute
Basic information
- CAS
179064-47-2- Standard SMILES
COC(=O)CCC(C#N)(CCC(=O)OC)c1ccccc1F- InChIKey
YFXINTFBSRXUAT-UHFFFAOYSA-N- Molecular formula
- C16H18FNO4
- Average molar mass
- 307.32 g/mol
- Monoisotopic mass
- 307.12198628
Names & identifiers
- Preferred name
- Dimethyl 4-cyano-4-(2-fluorophenyl)heptanedioate
- IUPAC
- dimethyl 4-cyano-4-(2-fluorophenyl)heptanedioate
Names & synonyms
Dimethyl 4-cyano-4-(2-fluorophenyl)heptanedioate179064-47-2SCHEMBL11920949DTXSID10618630YFXINTFBSRXUAT-UHFFFAOYSA-NDimethyl 4-cyano4-(2-fluorophenyl)heptanedioate
Database identifiers
- CAS
179064-47-2- PubChem CID
- 21834548
- DTXSID
DTXSID10618630
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 423
Related reactions
5 records
Compound notes
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