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

HCID 21990936
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Basic information

Standard SMILES
CCCCC12CCC(=O)C=C1c1cc(F)c(OC)c(Cl)c1C2
InChIKey
XBEJNINQIBTEBZ-UHFFFAOYSA-N
Molecular formula
C18H20ClFO2
Average molar mass
322.8 g/mol
Monoisotopic mass
322.1135857

Names & identifiers

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

Names & synonyms

SCHEMBL2417565XBEJNINQIBTEBZ-UHFFFAOYSA-N9a-butyl-8-chloro-6-fluoro-7-methoxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one

Database identifiers

PubChem CID
21990936

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
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Compound notes

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