9a-butyl-4-ethyl-6-fluoro-7-methoxy-8-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one

HCID 21990925
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Basic information

Standard SMILES
CCCCC12CCC(=O)C(CC)=C1c1cc(F)c(OC)c(C)c1C2
InChIKey
MBTGJZZZDLBGJB-UHFFFAOYSA-N
Molecular formula
C21H27FO2
Average molar mass
330.4 g/mol

Names & identifiers

Preferred name
9a-butyl-4-ethyl-6-fluoro-7-methoxy-8-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
IUPAC
9a-butyl-4-ethyl-6-fluoro-7-methoxy-8-methyl-2,9-dihydro-1H-fluoren-3-one

Names & synonyms

SCHEMBL2414583MBTGJZZZDLBGJB-UHFFFAOYSA-N9a-butyl-4-ethyl-6-fluoro-7-methoxy-8-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Database identifiers

PubChem CID
21990925

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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