2,3-dibromo-4,5-dimethyl-9H-fluorene

C15H12Br2 — CID 173085079

IUPAC2,3-dibromo-4,5-dimethyl-9H-fluorene
SMILESCc1cccc2c1-c1c(cc(Br)c(Br)c1C)C2
InChIInChI=1S/C15H12Br2/c1-8-4-3-5-10-6-11-7-12(16)15(17)9(2)14(11)13(8)10/h3-5,7H,6H2,1-2H3
InChIKeySOEAQYJOTMKUPT-UHFFFAOYSA-N
MW352.07 g/mol
LogP5.40
Rot. Bonds

About 2,3-dibromo-4,5-dimethyl-9H-fluorene

2,3-dibromo-4,5-dimethyl-9H-fluorene (PubChem CID 173085079) has the molecular formula C15H12Br2 and a molecular weight of 352.07 g/mol. Its IUPAC name is 2,3-dibromo-4,5-dimethyl-9H-fluorene.

Molecular Properties

Compound Name2,3-dibromo-4,5-dimethyl-9H-fluorene
PubChem CID173085079
Molecular FormulaC15H12Br2
Molecular Weight352.07 g/mol
Exact Mass349.93
IUPAC Name2,3-dibromo-4,5-dimethyl-9H-fluorene
SMILESCc1cccc2c1-c1c(cc(Br)c(Br)c1C)C2
InChIInChI=1S/C15H12Br2/c1-8-4-3-5-10-6-11-7-12(16)15(17)9(2)14(11)13(8)10/h3-5,7H,6H2,1-2H3
InChIKeySOEAQYJOTMKUPT-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.07
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-4,5-dimethyl-9H-fluorene?
The IUPAC name of 2,3-dibromo-4,5-dimethyl-9H-fluorene (CID 173085079) is 2,3-dibromo-4,5-dimethyl-9H-fluorene.
What is the SMILES notation for 2,3-dibromo-4,5-dimethyl-9H-fluorene?
The canonical SMILES for 2,3-dibromo-4,5-dimethyl-9H-fluorene is Cc1cccc2c1-c1c(cc(Br)c(Br)c1C)C2.
What is the InChIKey of 2,3-dibromo-4,5-dimethyl-9H-fluorene?
The InChIKey is SOEAQYJOTMKUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2/c1-8-4-3-5-10-6-11-7-12(16)15(17)9(2)14(11)13(8)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 2,3-dibromo-4,5-dimethyl-9H-fluorene?
2,3-dibromo-4,5-dimethyl-9H-fluorene has a molecular weight of 352.07 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-4,5-dimethyl-9H-fluorene is sourced from PubChem (CID 173085079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).