9-butyl-9H-fluorene

C17H18 — CID 6427878

IUPAC9-butyl-9H-fluorene
SMILESCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h4-7,9-13H,2-3,8H2,1H3
InChIKeyRBDADLSAYYPJAN-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.99
Rot. Bonds3

About 9-butyl-9H-fluorene

9-butyl-9H-fluorene (PubChem CID 6427878) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 9-butyl-9H-fluorene.

Molecular Properties

Compound Name9-butyl-9H-fluorene
PubChem CID6427878
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name9-butyl-9H-fluorene
SMILESCCCCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H18/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h4-7,9-13H,2-3,8H2,1H3
InChIKeyRBDADLSAYYPJAN-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-butyl-9H-fluorene?
The IUPAC name of 9-butyl-9H-fluorene (CID 6427878) is 9-butyl-9H-fluorene.
What is the SMILES notation for 9-butyl-9H-fluorene?
The canonical SMILES for 9-butyl-9H-fluorene is CCCCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-butyl-9H-fluorene?
The InChIKey is RBDADLSAYYPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-2-3-8-13-14-9-4-6-11-16(14)17-12-7-5-10-15(13)17/h4-7,9-13H,2-3,8H2,1H3.
What are the key properties of 9-butyl-9H-fluorene?
9-butyl-9H-fluorene has a molecular weight of 222.33 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-butyl-9H-fluorene is sourced from PubChem (CID 6427878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).