10,10-diethyl-7-fluorobenzo[b]fluorene

C21H19F — CID 154714040

IUPAC10,10-diethyl-7-fluorobenzo[b]fluorene
SMILESCCC1(CC)C2=Cc3ccccc3C2=Cc2cc(F)ccc21
InChIInChI=1S/C21H19F/c1-3-21(4-2)19-10-9-16(22)11-15(19)12-18-17-8-6-5-7-14(17)13-20(18)21/h5-13H,3-4H2,1-2H3
InChIKeyLHRDIZFYQMLDLD-UHFFFAOYSA-N
MW290.38 g/mol
LogP5.83
Rot. Bonds2

About 10,10-diethyl-7-fluorobenzo[b]fluorene

10,10-diethyl-7-fluorobenzo[b]fluorene (PubChem CID 154714040) has the molecular formula C21H19F and a molecular weight of 290.38 g/mol. Its IUPAC name is 10,10-diethyl-7-fluorobenzo[b]fluorene.

Molecular Properties

Compound Name10,10-diethyl-7-fluorobenzo[b]fluorene
PubChem CID154714040
Molecular FormulaC21H19F
Molecular Weight290.38 g/mol
Exact Mass290.15
IUPAC Name10,10-diethyl-7-fluorobenzo[b]fluorene
SMILESCCC1(CC)C2=Cc3ccccc3C2=Cc2cc(F)ccc21
InChIInChI=1S/C21H19F/c1-3-21(4-2)19-10-9-16(22)11-15(19)12-18-17-8-6-5-7-14(17)13-20(18)21/h5-13H,3-4H2,1-2H3
InChIKeyLHRDIZFYQMLDLD-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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9,9-dibutyl-2,7-difluorofluorene
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CID 167326908
6,7-diethyl-10-fluoro-6,7-dimethylbenzo[a]quinolizin-5-ium
CID 123834920
1,1,3,3-tetramethyl-2H-fluorene
CID 154019183
(9-ethylfluoren-9-yl)methanethiol
CID 167224564
3-chloro-5'-fluorospiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]
CID 134253370
21,21-diethyl-5-fluoranthen-3-yl-10,18-difluoro-5-phenyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene
CID 171403352
(3S)-1,1,2,2,5-pentafluoro-3-methyl-3-prop-2-enylindene
CID 167031298
2,7-bis[7-(9,9-diethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-diethylfluorene;2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 160707659
2-(9,9-diethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939612

Frequently Asked Questions

What is the IUPAC name of 10,10-diethyl-7-fluorobenzo[b]fluorene?
The IUPAC name of 10,10-diethyl-7-fluorobenzo[b]fluorene (CID 154714040) is 10,10-diethyl-7-fluorobenzo[b]fluorene.
What is the SMILES notation for 10,10-diethyl-7-fluorobenzo[b]fluorene?
The canonical SMILES for 10,10-diethyl-7-fluorobenzo[b]fluorene is CCC1(CC)C2=Cc3ccccc3C2=Cc2cc(F)ccc21.
What is the InChIKey of 10,10-diethyl-7-fluorobenzo[b]fluorene?
The InChIKey is LHRDIZFYQMLDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F/c1-3-21(4-2)19-10-9-16(22)11-15(19)12-18-17-8-6-5-7-14(17)13-20(18)21/h5-13H,3-4H2,1-2H3.
What are the key properties of 10,10-diethyl-7-fluorobenzo[b]fluorene?
10,10-diethyl-7-fluorobenzo[b]fluorene has a molecular weight of 290.38 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diethyl-7-fluorobenzo[b]fluorene is sourced from PubChem (CID 154714040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).