9,9-dibutyl-2,7-difluorofluorene

C21H24F2 — CID 139983199

IUPAC9,9-dibutyl-2,7-difluorofluorene
SMILESCCCCC1(CCCC)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C21H24F2/c1-3-5-11-21(12-6-4-2)19-13-15(22)7-9-17(19)18-10-8-16(23)14-20(18)21/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyPUQGUKCHKBTPJL-UHFFFAOYSA-N
MW314.42 g/mol
LogP6.61
Rot. Bonds6

About 9,9-dibutyl-2,7-difluorofluorene

9,9-dibutyl-2,7-difluorofluorene (PubChem CID 139983199) has the molecular formula C21H24F2 and a molecular weight of 314.42 g/mol. Its IUPAC name is 9,9-dibutyl-2,7-difluorofluorene.

Molecular Properties

Compound Name9,9-dibutyl-2,7-difluorofluorene
PubChem CID139983199
Molecular FormulaC21H24F2
Molecular Weight314.42 g/mol
Exact Mass314.18
IUPAC Name9,9-dibutyl-2,7-difluorofluorene
SMILESCCCCC1(CCCC)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C21H24F2/c1-3-5-11-21(12-6-4-2)19-13-15(22)7-9-17(19)18-10-8-16(23)14-20(18)21/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKeyPUQGUKCHKBTPJL-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9,9-dibutyl-2,7-difluorofluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-2,7-difluorofluorene?
The IUPAC name of 9,9-dibutyl-2,7-difluorofluorene (CID 139983199) is 9,9-dibutyl-2,7-difluorofluorene.
What is the SMILES notation for 9,9-dibutyl-2,7-difluorofluorene?
The canonical SMILES for 9,9-dibutyl-2,7-difluorofluorene is CCCCC1(CCCC)c2cc(F)ccc2-c2ccc(F)cc21.
What is the InChIKey of 9,9-dibutyl-2,7-difluorofluorene?
The InChIKey is PUQGUKCHKBTPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2/c1-3-5-11-21(12-6-4-2)19-13-15(22)7-9-17(19)18-10-8-16(23)14-20(18)21/h7-10,13-14H,3-6,11-12H2,1-2H3.
What are the key properties of 9,9-dibutyl-2,7-difluorofluorene?
9,9-dibutyl-2,7-difluorofluorene has a molecular weight of 314.42 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-2,7-difluorofluorene is sourced from PubChem (CID 139983199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).