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

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Related Compounds

9,9-dibutyl-2,7-di(propan-2-yl)fluorene
CID 153392949
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
9,9-dibutyl-2,7-bis[(E)-2-(4-methylphenyl)ethenyl]fluorene
CID 122221081
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene
CID 155791402
9-butyl-2-N,2-N,7-N,7-N-tetraphenyl-9-propylfluorene-2,7-diamine
CID 71228215
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
(9,9-dioctyl-7-trimethylboranuidylfluoren-2-yl)-trimethylboranuide
CID 101466054
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene
CID 102254188
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
chloro-[7-[chloro(dimethyl)silyl]-9,9-dihexylfluoren-2-yl]-dimethylsilane
CID 132918715
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153

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).