1'-iodospiro[cyclohexane-1,9'-fluorene]

C18H17I — CID 142567554

IUPAC1'-iodospiro[cyclohexane-1,9'-fluorene]
SMILESIc1cccc2c1C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C18H17I/c19-16-10-6-8-14-13-7-2-3-9-15(13)18(17(14)16)11-4-1-5-12-18/h2-3,6-10H,1,4-5,11-12H2
InChIKeyOQSVTKDJJXXRET-UHFFFAOYSA-N
MW360.24 g/mol
LogP5.52
Rot. Bonds

About 1'-iodospiro[cyclohexane-1,9'-fluorene]

1'-iodospiro[cyclohexane-1,9'-fluorene] (PubChem CID 142567554) has the molecular formula C18H17I and a molecular weight of 360.24 g/mol. Its IUPAC name is 1'-iodospiro[cyclohexane-1,9'-fluorene].

Molecular Properties

Compound Name1'-iodospiro[cyclohexane-1,9'-fluorene]
PubChem CID142567554
Molecular FormulaC18H17I
Molecular Weight360.24 g/mol
Exact Mass360.04
IUPAC Name1'-iodospiro[cyclohexane-1,9'-fluorene]
SMILESIc1cccc2c1C1(CCCCC1)c1ccccc1-2
InChIInChI=1S/C18H17I/c19-16-10-6-8-14-13-7-2-3-9-15(13)18(17(14)16)11-4-1-5-12-18/h2-3,6-10H,1,4-5,11-12H2
InChIKeyOQSVTKDJJXXRET-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.24
LogP ≤ 55.52
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 1'-iodospiro[cyclohexane-1,9'-fluorene]?
The IUPAC name of 1'-iodospiro[cyclohexane-1,9'-fluorene] (CID 142567554) is 1'-iodospiro[cyclohexane-1,9'-fluorene].
What is the SMILES notation for 1'-iodospiro[cyclohexane-1,9'-fluorene]?
The canonical SMILES for 1'-iodospiro[cyclohexane-1,9'-fluorene] is Ic1cccc2c1C1(CCCCC1)c1ccccc1-2.
What is the InChIKey of 1'-iodospiro[cyclohexane-1,9'-fluorene]?
The InChIKey is OQSVTKDJJXXRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17I/c19-16-10-6-8-14-13-7-2-3-9-15(13)18(17(14)16)11-4-1-5-12-18/h2-3,6-10H,1,4-5,11-12H2.
What are the key properties of 1'-iodospiro[cyclohexane-1,9'-fluorene]?
1'-iodospiro[cyclohexane-1,9'-fluorene] has a molecular weight of 360.24 g/mol, XLogP of 5.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-iodospiro[cyclohexane-1,9'-fluorene] is sourced from PubChem (CID 142567554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).