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

C15H13BrClFO2 — CID 10269850

IUPAC4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
SMILESCCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C15H13BrClFO2/c1-2-15-4-3-10(19)12(16)11(15)7-5-9(18)14(20)13(17)8(7)6-15/h5,20H,2-4,6H2,1H3
InChIKeyRYVVXEUZKYAYBV-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.61
Rot. Bonds1

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

4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one (PubChem CID 10269850) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
PubChem CID10269850
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
SMILESCCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C15H13BrClFO2/c1-2-15-4-3-10(19)12(16)11(15)7-5-9(18)14(20)13(17)8(7)6-15/h5,20H,2-4,6H2,1H3
InChIKeyRYVVXEUZKYAYBV-UHFFFAOYSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

(9aS)-4-bromo-9a-butyl-8-chloro-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 11949349
(1S,12R)-4,10-dichloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 11543891
(1S,12R)-4-chloro-5-hydroxytetracyclo[10.2.1.01,9.03,8]pentadeca-3(8),4,6,9-tetraen-11-one
CID 16726787
9a-butyl-8-chloro-4-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 9923873
8-chloro-9a-ethyl-6-fluoro-7-hydroxy-4-methyl-2,9-dihydro-1H-fluoren-3-one
CID 9965937
9a-butyl-8-chloro-6-fluoro-7-hydroxy-4-methyl-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 9966971
9a-butyl-8-chloro-6-fluoro-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 9969805
1-bromo-3a-butyl-6-chloro-8-fluoro-7-hydroxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-2-one
CID 10091641
4-bromo-9a-butyl-6,8-difluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10109752
9a-butyl-8-chloro-7-hydroxy-4-(trifluoromethyl)-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 10269790
4-bromo-8-chloro-9a-(cyclopentylmethyl)-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10273183
4-bromo-9a-butyl-8-chloro-6-fluoro-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
CID 10293600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one (CID 10269850) is 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one is CCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2.
What is the InChIKey of 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is RYVVXEUZKYAYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-2-15-4-3-10(19)12(16)11(15)7-5-9(18)14(20)13(17)8(7)6-15/h5,20H,2-4,6H2,1H3.
What are the key properties of 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one?
4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 359.62 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-9a-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 10269850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).