2-(diiodomethyl)-9,9-diethylfluorene

C18H18I2 — CID 142719764

IUPAC2-(diiodomethyl)-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(C(I)I)cc21
InChIInChI=1S/C18H18I2/c1-3-18(4-2)15-8-6-5-7-13(15)14-10-9-12(17(19)20)11-16(14)18/h5-11,17H,3-4H2,1-2H3
InChIKeyXJAJSOFTCXLCFH-UHFFFAOYSA-N
MW488.15 g/mol
LogP6.64
Rot. Bonds3

About 2-(diiodomethyl)-9,9-diethylfluorene

2-(diiodomethyl)-9,9-diethylfluorene (PubChem CID 142719764) has the molecular formula C18H18I2 and a molecular weight of 488.15 g/mol. Its IUPAC name is 2-(diiodomethyl)-9,9-diethylfluorene.

Molecular Properties

Compound Name2-(diiodomethyl)-9,9-diethylfluorene
PubChem CID142719764
Molecular FormulaC18H18I2
Molecular Weight488.15 g/mol
Exact Mass487.95
IUPAC Name2-(diiodomethyl)-9,9-diethylfluorene
SMILESCCC1(CC)c2ccccc2-c2ccc(C(I)I)cc21
InChIInChI=1S/C18H18I2/c1-3-18(4-2)15-8-6-5-7-13(15)14-10-9-12(17(19)20)11-16(14)18/h5-11,17H,3-4H2,1-2H3
InChIKeyXJAJSOFTCXLCFH-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.15
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diiodomethyl)-9,9-diethylfluorene?
The IUPAC name of 2-(diiodomethyl)-9,9-diethylfluorene (CID 142719764) is 2-(diiodomethyl)-9,9-diethylfluorene.
What is the SMILES notation for 2-(diiodomethyl)-9,9-diethylfluorene?
The canonical SMILES for 2-(diiodomethyl)-9,9-diethylfluorene is CCC1(CC)c2ccccc2-c2ccc(C(I)I)cc21.
What is the InChIKey of 2-(diiodomethyl)-9,9-diethylfluorene?
The InChIKey is XJAJSOFTCXLCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18I2/c1-3-18(4-2)15-8-6-5-7-13(15)14-10-9-12(17(19)20)11-16(14)18/h5-11,17H,3-4H2,1-2H3.
What are the key properties of 2-(diiodomethyl)-9,9-diethylfluorene?
2-(diiodomethyl)-9,9-diethylfluorene has a molecular weight of 488.15 g/mol, XLogP of 6.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diiodomethyl)-9,9-diethylfluorene is sourced from PubChem (CID 142719764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).