3cHeteF-EMecH2
Basic information
- Standard SMILES
CCCC1=CCC(c2ccc(-c3ccc(OCC4CCC(CC)CC4)c(F)c3F)c(F)c2F)CC1- InChIKey
NKHLCYYWPVIZPI-UHFFFAOYSA-N- Molecular formula
- C30H36F4O
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.27022842
Names & identifiers
- Preferred name
- 3cHeteF-EMecH2
- IUPAC
- 1-[2,3-difluoro-4-(4-propylcyclohex-3-en-1-yl)phenyl]-4-[(4-ethylcyclohexyl)methoxy]-2,3-difluorobenzene
Names & synonyms
4''-((4-ethylcyclohexyl)methoxy)-2',2'',3',3''-tetrafluoro-4-propyl-1,2,3,6-tetrahydro-1,1':4',1''-terphenyl4''-[(4-ethylcyclohexyl)methoxy]-2',2'',3',3''-tetrafluoro-4-propyl-1,2,3,6-tetrahydro-1,1':4',1''-terphenyl3cHeteF-EMecH2DTXSID401379317
Database identifiers
- PubChem CID
- 175685514
- DTXSID
DTXSID401379317
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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