2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one

C24H29BrO — CID 155647575

IUPAC2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)C(C)Br)cc21
InChIInChI=1S/C24H29BrO/c1-4-6-14-24(15-7-5-2)21-11-9-8-10-19(21)20-13-12-18(16-22(20)24)23(26)17(3)25/h8-13,16-17H,4-7,14-15H2,1-3H3
InChIKeyXYRJXUIORQKTNU-UHFFFAOYSA-N
MW413.40 g/mol
LogP7.30
Rot. Bonds8

About 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one

2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one (PubChem CID 155647575) has the molecular formula C24H29BrO and a molecular weight of 413.40 g/mol. Its IUPAC name is 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one
PubChem CID155647575
Molecular FormulaC24H29BrO
Molecular Weight413.40 g/mol
Exact Mass412.14
IUPAC Name2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one
SMILESCCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)C(C)Br)cc21
InChIInChI=1S/C24H29BrO/c1-4-6-14-24(15-7-5-2)21-11-9-8-10-19(21)20-13-12-18(16-22(20)24)23(26)17(3)25/h8-13,16-17H,4-7,14-15H2,1-3H3
InChIKeyXYRJXUIORQKTNU-UHFFFAOYSA-N
XLogP7.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.40
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(9,9-dihexylfluoren-2-yl)propane-1,3-dione
CID 141179723
10,10-dibutylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,21-dione
CID 102139289
bis(9,9-dibutylfluoren-2-yl)borinic acid
CID 140671651
1-[4-(9,9-dihexylfluoren-2-yl)phenyl]ethanone
CID 142722854
[4-[10-[4-(9,9-dihexylfluorene-2-carbonyl)phenyl]anthracen-9-yl]phenyl]-(9,9-dihexylfluoren-2-yl)methanone
CID 102418466
9,9-dihexylfluorene-2,7-dicarboxylic acid
CID 23089428
1-(9,9-dipropylfluoren-2-yl)-2-phenylethanone
CID 129094188
2-bromo-1-[9,9-dibutyl-7-(N-phenylanilino)fluoren-2-yl]ethanone
CID 101453749
2-bromo-9,9-dihexylfluorene
CID 18674600
2,7-bis(9,9-dibutylfluoren-2-yl)fluoren-9-one
CID 102430700
9,9-di(docosyl)fluorene
CID 22568526
9,9-didecylfluorene
CID 5135289

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one (CID 155647575) is 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one is CCCCC1(CCCC)c2ccccc2-c2ccc(C(=O)C(C)Br)cc21.
What is the InChIKey of 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one?
The InChIKey is XYRJXUIORQKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrO/c1-4-6-14-24(15-7-5-2)21-11-9-8-10-19(21)20-13-12-18(16-22(20)24)23(26)17(3)25/h8-13,16-17H,4-7,14-15H2,1-3H3.
What are the key properties of 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one?
2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one has a molecular weight of 413.40 g/mol, XLogP of 7.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(9,9-dibutylfluoren-2-yl)propan-1-one is sourced from PubChem (CID 155647575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).