8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one

C15H14ClFO2 — CID 23545794

IUPAC8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC1=C2c3cc(F)c(O)c(Cl)c3CC2(C)CCC1=O
InChIInChI=1S/C15H14ClFO2/c1-7-11(18)3-4-15(2)6-9-8(12(7)15)5-10(17)14(19)13(9)16/h5,19H,3-4,6H2,1-2H3
InChIKeyPSBWMSPHYGZYOY-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.88
Rot. Bonds

About 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one

8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one (PubChem CID 23545794) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one
PubChem CID23545794
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC1=C2c3cc(F)c(O)c(Cl)c3CC2(C)CCC1=O
InChIInChI=1S/C15H14ClFO2/c1-7-11(18)3-4-15(2)6-9-8(12(7)15)5-10(17)14(19)13(9)16/h5,19H,3-4,6H2,1-2H3
InChIKeyPSBWMSPHYGZYOY-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one (CID 23545794) is 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one is CC1=C2c3cc(F)c(O)c(Cl)c3CC2(C)CCC1=O.
What is the InChIKey of 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is PSBWMSPHYGZYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c1-7-11(18)3-4-15(2)6-9-8(12(7)15)5-10(17)14(19)13(9)16/h5,19H,3-4,6H2,1-2H3.
What are the key properties of 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one?
8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 280.73 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-7-hydroxy-4,9a-dimethyl-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 23545794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).