7-chloro-1-iodo-9H-fluorene

C13H8ClI — CID 139958813

IUPAC7-chloro-1-iodo-9H-fluorene
SMILESClc1ccc2c(c1)Cc1c(I)cccc1-2
InChIInChI=1S/C13H8ClI/c14-9-4-5-10-8(6-9)7-12-11(10)2-1-3-13(12)15/h1-6H,7H2
InChIKeyXYHUYZFHDUQUQS-UHFFFAOYSA-N
MW326.56 g/mol
LogP4.52
Rot. Bonds

About 7-chloro-1-iodo-9H-fluorene

7-chloro-1-iodo-9H-fluorene (PubChem CID 139958813) has the molecular formula C13H8ClI and a molecular weight of 326.56 g/mol. Its IUPAC name is 7-chloro-1-iodo-9H-fluorene.

Molecular Properties

Compound Name7-chloro-1-iodo-9H-fluorene
PubChem CID139958813
Molecular FormulaC13H8ClI
Molecular Weight326.56 g/mol
Exact Mass325.94
IUPAC Name7-chloro-1-iodo-9H-fluorene
SMILESClc1ccc2c(c1)Cc1c(I)cccc1-2
InChIInChI=1S/C13H8ClI/c14-9-4-5-10-8(6-9)7-12-11(10)2-1-3-13(12)15/h1-6H,7H2
InChIKeyXYHUYZFHDUQUQS-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.56
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-iodo-9H-fluorene?
The IUPAC name of 7-chloro-1-iodo-9H-fluorene (CID 139958813) is 7-chloro-1-iodo-9H-fluorene.
What is the SMILES notation for 7-chloro-1-iodo-9H-fluorene?
The canonical SMILES for 7-chloro-1-iodo-9H-fluorene is Clc1ccc2c(c1)Cc1c(I)cccc1-2.
What is the InChIKey of 7-chloro-1-iodo-9H-fluorene?
The InChIKey is XYHUYZFHDUQUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClI/c14-9-4-5-10-8(6-9)7-12-11(10)2-1-3-13(12)15/h1-6H,7H2.
What are the key properties of 7-chloro-1-iodo-9H-fluorene?
7-chloro-1-iodo-9H-fluorene has a molecular weight of 326.56 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-iodo-9H-fluorene is sourced from PubChem (CID 139958813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).