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

C14H11BrClFO2 — CID 23545778

IUPAC4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C14H11BrClFO2/c1-14-3-2-9(18)11(15)10(14)6-4-8(17)13(19)12(16)7(6)5-14/h4,19H,2-3,5H2,1H3
InChIKeyHXXJZNZRGWEAMH-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.22
Rot. Bonds

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

4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one (PubChem CID 23545778) has the molecular formula C14H11BrClFO2 and a molecular weight of 345.60 g/mol. Its IUPAC name is 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one.

Molecular Properties

Compound Name4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one
PubChem CID23545778
Molecular FormulaC14H11BrClFO2
Molecular Weight345.60 g/mol
Exact Mass343.96
IUPAC Name4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one
SMILESCC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2
InChIInChI=1S/C14H11BrClFO2/c1-14-3-2-9(18)11(15)10(14)6-4-8(17)13(19)12(16)7(6)5-14/h4,19H,2-3,5H2,1H3
InChIKeyHXXJZNZRGWEAMH-UHFFFAOYSA-N
XLogP4.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-ethyl-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10269850
4-bromo-8-chloro-9a-(cyclopentylmethyl)-6-fluoro-7-hydroxy-2,9-dihydro-1H-fluoren-3-one
CID 10273183

Frequently Asked Questions

What is the IUPAC name of 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The IUPAC name of 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one (CID 23545778) is 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one.
What is the SMILES notation for 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The canonical SMILES for 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one is CC12CCC(=O)C(Br)=C1c1cc(F)c(O)c(Cl)c1C2.
What is the InChIKey of 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
The InChIKey is HXXJZNZRGWEAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO2/c1-14-3-2-9(18)11(15)10(14)6-4-8(17)13(19)12(16)7(6)5-14/h4,19H,2-3,5H2,1H3.
What are the key properties of 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one?
4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one has a molecular weight of 345.60 g/mol, XLogP of 4.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-8-chloro-6-fluoro-7-hydroxy-9a-methyl-2,9-dihydro-1H-fluoren-3-one is sourced from PubChem (CID 23545778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).