2-bromo-9H-fluorene

C13H9Br — CID 14336

IUPAC2-bromo-9H-fluorene
SMILESBrc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyFXSCJZNMWILAJO-UHFFFAOYSA-N
MW245.12 g/mol
LogP4.02
Rot. Bonds

About 2-bromo-9H-fluorene

2-bromo-9H-fluorene (PubChem CID 14336) has the molecular formula C13H9Br and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-9H-fluorene.

Molecular Properties

Compound Name2-bromo-9H-fluorene
PubChem CID14336
Molecular FormulaC13H9Br
Molecular Weight245.12 g/mol
Exact Mass243.99
IUPAC Name2-bromo-9H-fluorene
SMILESBrc1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKeyFXSCJZNMWILAJO-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9H-fluorene?
The IUPAC name of 2-bromo-9H-fluorene (CID 14336) is 2-bromo-9H-fluorene.
What is the SMILES notation for 2-bromo-9H-fluorene?
The canonical SMILES for 2-bromo-9H-fluorene is Brc1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 2-bromo-9H-fluorene?
The InChIKey is FXSCJZNMWILAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Br/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2.
What are the key properties of 2-bromo-9H-fluorene?
2-bromo-9H-fluorene has a molecular weight of 245.12 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9H-fluorene is sourced from PubChem (CID 14336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).