2-bromo-7-hexyl-9,9-dimethylfluorene

C21H25Br — CID 130398311

IUPAC2-bromo-7-hexyl-9,9-dimethylfluorene
SMILESCCCCCCc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C21H25Br/c1-4-5-6-7-8-15-9-11-17-18-12-10-16(22)14-20(18)21(2,3)19(17)13-15/h9-14H,4-8H2,1-3H3
InChIKeyDVIFODIWKRCHEZ-UHFFFAOYSA-N
MW357.34 g/mol
LogP6.88
Rot. Bonds5

About 2-bromo-7-hexyl-9,9-dimethylfluorene

2-bromo-7-hexyl-9,9-dimethylfluorene (PubChem CID 130398311) has the molecular formula C21H25Br and a molecular weight of 357.34 g/mol. Its IUPAC name is 2-bromo-7-hexyl-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-bromo-7-hexyl-9,9-dimethylfluorene
PubChem CID130398311
Molecular FormulaC21H25Br
Molecular Weight357.34 g/mol
Exact Mass356.11
IUPAC Name2-bromo-7-hexyl-9,9-dimethylfluorene
SMILESCCCCCCc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2
InChIInChI=1S/C21H25Br/c1-4-5-6-7-8-15-9-11-17-18-12-10-16(22)14-20(18)21(2,3)19(17)13-15/h9-14H,4-8H2,1-3H3
InChIKeyDVIFODIWKRCHEZ-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,7-dibromo-9-(4-hexylphenyl)fluoren-9-ol
CID 58556168
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265
2,7-dibromo-9-heptyl-9-hexylfluorene
CID 170123395
2-bromo-9-(3-hexyl-5-methylphenyl)-7,9-dimethylfluorene
CID 129263040
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
2,7-dibromo-9-(3-hexyl-5-methylphenyl)fluoren-9-ol
CID 134368344
2-(5-bromopentyl)-9,9-dimethyl-7-pentylxanthene
CID 157482331
2-(5-bromopentyl)-7-hexyl-9,9-dimethylxanthene
CID 86046550
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
2,7-dibromo-9-iodo-9-octylfluorene
CID 138531843

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-hexyl-9,9-dimethylfluorene?
The IUPAC name of 2-bromo-7-hexyl-9,9-dimethylfluorene (CID 130398311) is 2-bromo-7-hexyl-9,9-dimethylfluorene.
What is the SMILES notation for 2-bromo-7-hexyl-9,9-dimethylfluorene?
The canonical SMILES for 2-bromo-7-hexyl-9,9-dimethylfluorene is CCCCCCc1ccc2c(c1)C(C)(C)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-hexyl-9,9-dimethylfluorene?
The InChIKey is DVIFODIWKRCHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Br/c1-4-5-6-7-8-15-9-11-17-18-12-10-16(22)14-20(18)21(2,3)19(17)13-15/h9-14H,4-8H2,1-3H3.
What are the key properties of 2-bromo-7-hexyl-9,9-dimethylfluorene?
2-bromo-7-hexyl-9,9-dimethylfluorene has a molecular weight of 357.34 g/mol, XLogP of 6.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-hexyl-9,9-dimethylfluorene is sourced from PubChem (CID 130398311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).