2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone

C15H9BrCl2O — CID 71315967

IUPAC2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
SMILESO=C(CBr)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C15H9BrCl2O/c16-7-14(19)13-6-11(18)5-9-3-8-4-10(17)1-2-12(8)15(9)13/h1-2,4-6H,3,7H2
InChIKeyDIAHHKVTQMIQJC-UHFFFAOYSA-N
MW356.05 g/mol
LogP5.14
Rot. Bonds2

About 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone

2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone (PubChem CID 71315967) has the molecular formula C15H9BrCl2O and a molecular weight of 356.05 g/mol. Its IUPAC name is 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
PubChem CID71315967
Molecular FormulaC15H9BrCl2O
Molecular Weight356.05 g/mol
Exact Mass353.92
IUPAC Name2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone
SMILESO=C(CBr)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2
InChIInChI=1S/C15H9BrCl2O/c16-7-14(19)13-6-11(18)5-9-3-8-4-10(17)1-2-12(8)15(9)13/h1-2,4-6H,3,7H2
InChIKeyDIAHHKVTQMIQJC-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.05
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,7-dichloro-9H-fluorene-4-carboxylic acid
CID 86222541
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
2-bromo-1-(5-chloro-2-methylsulfanylphenyl)ethanone
CID 22462174
2-bromo-1-(5-chloro-2,3-dimethylphenyl)ethanone
CID 171008499
7-bromo-1-(5-chloro-2-hydroxyphenyl)heptan-1-one
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CID 18931145
azane;3-chlorobicyclo[4.1.0]hepta-1(6),2,4-triene
CID 66993056
2-bromo-1-[4-chloro-2-(trideuteriomethoxy)phenyl]ethanone
CID 171616498
5-chloro-3H-indene-1,2-dione
CID 11074006
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(2-amino-5-chlorophenyl)-4-iodobutan-1-one
CID 54283118
1-(4-chloro-2-fluorophenyl)-5,5,5-trifluoropentan-1-one
CID 115515852

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone?
The IUPAC name of 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone (CID 71315967) is 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone is O=C(CBr)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2.
What is the InChIKey of 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone?
The InChIKey is DIAHHKVTQMIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrCl2O/c16-7-14(19)13-6-11(18)5-9-3-8-4-10(17)1-2-12(8)15(9)13/h1-2,4-6H,3,7H2.
What are the key properties of 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone?
2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone has a molecular weight of 356.05 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,7-dichloro-9H-fluoren-4-yl)ethanone is sourced from PubChem (CID 71315967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).