2-chloro-7-iodofluoren-9-one

C13H6ClIO — CID 86047410

IUPAC2-chloro-7-iodofluoren-9-one
SMILESO=C1c2cc(Cl)ccc2-c2ccc(I)cc21
InChIInChI=1S/C13H6ClIO/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKeyHUOOOYOBDFQGAL-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.16
Rot. Bonds

About 2-chloro-7-iodofluoren-9-one

2-chloro-7-iodofluoren-9-one (PubChem CID 86047410) has the molecular formula C13H6ClIO and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-chloro-7-iodofluoren-9-one.

Molecular Properties

Compound Name2-chloro-7-iodofluoren-9-one
PubChem CID86047410
Molecular FormulaC13H6ClIO
Molecular Weight340.55 g/mol
Exact Mass339.92
IUPAC Name2-chloro-7-iodofluoren-9-one
SMILESO=C1c2cc(Cl)ccc2-c2ccc(I)cc21
InChIInChI=1S/C13H6ClIO/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKeyHUOOOYOBDFQGAL-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-iodofluoren-9-one?
The IUPAC name of 2-chloro-7-iodofluoren-9-one (CID 86047410) is 2-chloro-7-iodofluoren-9-one.
What is the SMILES notation for 2-chloro-7-iodofluoren-9-one?
The canonical SMILES for 2-chloro-7-iodofluoren-9-one is O=C1c2cc(Cl)ccc2-c2ccc(I)cc21.
What is the InChIKey of 2-chloro-7-iodofluoren-9-one?
The InChIKey is HUOOOYOBDFQGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClIO/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H.
What are the key properties of 2-chloro-7-iodofluoren-9-one?
2-chloro-7-iodofluoren-9-one has a molecular weight of 340.55 g/mol, XLogP of 4.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-iodofluoren-9-one is sourced from PubChem (CID 86047410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).