2,3-bis(2-bromoethyl)fluoren-9-one

C17H14Br2O — CID 174724060

IUPAC2,3-bis(2-bromoethyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21
InChIInChI=1S/C17H14Br2O/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19/h1-4,9-10H,5-8H2
InChIKeyZJKPBYOKVOTNMN-UHFFFAOYSA-N
MW394.11 g/mol
LogP4.77
Rot. Bonds4

About 2,3-bis(2-bromoethyl)fluoren-9-one

2,3-bis(2-bromoethyl)fluoren-9-one (PubChem CID 174724060) has the molecular formula C17H14Br2O and a molecular weight of 394.11 g/mol. Its IUPAC name is 2,3-bis(2-bromoethyl)fluoren-9-one.

Molecular Properties

Compound Name2,3-bis(2-bromoethyl)fluoren-9-one
PubChem CID174724060
Molecular FormulaC17H14Br2O
Molecular Weight394.11 g/mol
Exact Mass391.94
IUPAC Name2,3-bis(2-bromoethyl)fluoren-9-one
SMILESO=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21
InChIInChI=1S/C17H14Br2O/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19/h1-4,9-10H,5-8H2
InChIKeyZJKPBYOKVOTNMN-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.11
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3-bis(2-bromoethyl)fluoren-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-bromoethyl)fluoren-9-one?
The IUPAC name of 2,3-bis(2-bromoethyl)fluoren-9-one (CID 174724060) is 2,3-bis(2-bromoethyl)fluoren-9-one.
What is the SMILES notation for 2,3-bis(2-bromoethyl)fluoren-9-one?
The canonical SMILES for 2,3-bis(2-bromoethyl)fluoren-9-one is O=C1c2ccccc2-c2cc(CCBr)c(CCBr)cc21.
What is the InChIKey of 2,3-bis(2-bromoethyl)fluoren-9-one?
The InChIKey is ZJKPBYOKVOTNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2O/c18-7-5-11-9-15-13-3-1-2-4-14(13)17(20)16(15)10-12(11)6-8-19/h1-4,9-10H,5-8H2.
What are the key properties of 2,3-bis(2-bromoethyl)fluoren-9-one?
2,3-bis(2-bromoethyl)fluoren-9-one has a molecular weight of 394.11 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-bromoethyl)fluoren-9-one is sourced from PubChem (CID 174724060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).