9-tert-butyl-9H-fluorene

C17H18 — CID 28295

IUPAC9-tert-butyl-9H-fluorene
SMILESCC(C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3
InChIKeyFGGPKIIPWXUABP-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.84
Rot. Bonds

About 9-tert-butyl-9H-fluorene

9-tert-butyl-9H-fluorene (PubChem CID 28295) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 9-tert-butyl-9H-fluorene.

Molecular Properties

Compound Name9-tert-butyl-9H-fluorene
PubChem CID28295
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name9-tert-butyl-9H-fluorene
SMILESCC(C)(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3
InChIKeyFGGPKIIPWXUABP-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-9H-fluorene?
The IUPAC name of 9-tert-butyl-9H-fluorene (CID 28295) is 9-tert-butyl-9H-fluorene.
What is the SMILES notation for 9-tert-butyl-9H-fluorene?
The canonical SMILES for 9-tert-butyl-9H-fluorene is CC(C)(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-tert-butyl-9H-fluorene?
The InChIKey is FGGPKIIPWXUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4-11,16H,1-3H3.
What are the key properties of 9-tert-butyl-9H-fluorene?
9-tert-butyl-9H-fluorene has a molecular weight of 222.33 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-9H-fluorene is sourced from PubChem (CID 28295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).