2-bromofluoren-1-one

C13H7BrO — CID 66810654

IUPAC2-bromofluoren-1-one
SMILESO=C1C(Br)=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H7BrO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H
InChIKeyQFUPJXCUNNWZJQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.33
Rot. Bonds

About 2-bromofluoren-1-one

2-bromofluoren-1-one (PubChem CID 66810654) has the molecular formula C13H7BrO and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromofluoren-1-one.

Molecular Properties

Compound Name2-bromofluoren-1-one
PubChem CID66810654
Molecular FormulaC13H7BrO
Molecular Weight259.10 g/mol
Exact Mass257.97
IUPAC Name2-bromofluoren-1-one
SMILESO=C1C(Br)=CC=C2C1=Cc1ccccc12
InChIInChI=1S/C13H7BrO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H
InChIKeyQFUPJXCUNNWZJQ-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromofluoren-1-one?
The IUPAC name of 2-bromofluoren-1-one (CID 66810654) is 2-bromofluoren-1-one.
What is the SMILES notation for 2-bromofluoren-1-one?
The canonical SMILES for 2-bromofluoren-1-one is O=C1C(Br)=CC=C2C1=Cc1ccccc12.
What is the InChIKey of 2-bromofluoren-1-one?
The InChIKey is QFUPJXCUNNWZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-7H.
What are the key properties of 2-bromofluoren-1-one?
2-bromofluoren-1-one has a molecular weight of 259.10 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromofluoren-1-one is sourced from PubChem (CID 66810654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).