2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene

C22H27Br — CID 90463480

IUPAC2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)Br)ccc1-2
InChIInChI=1S/C22H27Br/c1-7-21(3,4)16-9-11-18-17-10-8-15(14(2)23)12-19(17)22(5,6)20(18)13-16/h8-14H,7H2,1-6H3
InChIKeyJLJYRURCDRMJQP-UHFFFAOYSA-N
MW371.36 g/mol
LogP7.14
Rot. Bonds3

About 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene

2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene (PubChem CID 90463480) has the molecular formula C22H27Br and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene.

Molecular Properties

Compound Name2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
PubChem CID90463480
Molecular FormulaC22H27Br
Molecular Weight371.36 g/mol
Exact Mass370.13
IUPAC Name2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
SMILESCCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)Br)ccc1-2
InChIInChI=1S/C22H27Br/c1-7-21(3,4)16-9-11-18-17-10-8-15(14(2)23)12-19(17)22(5,6)20(18)13-16/h8-14H,7H2,1-6H3
InChIKeyJLJYRURCDRMJQP-UHFFFAOYSA-N
XLogP7.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
1-(1-bromo-3-methylbutyl)-4-(2-methylbutan-2-yl)benzene
CID 66260360
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
N-[1-[9,9-dimethyl-7-[2-(4-methyl-N-(4-methylphenyl)anilino)propan-2-yl]fluoren-2-yl]ethyl]-4-methyl-N-(4-methylphenyl)aniline
CID 146713055
3-[3-[7-[1-(9,9-dimethylfluoren-2-yl)ethyl]-9,9-dimethylfluoren-2-yl]pentan-3-yl]pyridine
CID 70898781
(9S)-2-tert-butyl-9-methyl-7-propan-2-ylfluoren-9-ol
CID 130401999
3-ethyl-3-methyl-5-(2-methylbutan-2-yl)-2H-inden-1-one
CID 154721544
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
2,2-dimethyl-1-[4-(2-methylbutan-2-yl)phenyl]propan-1-amine
CID 66259173
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
1,3-dibromo-5-[bromo-[4-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 107980960

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene?
The IUPAC name of 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene (CID 90463480) is 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene.
What is the SMILES notation for 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene?
The canonical SMILES for 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene is CCC(C)(C)c1ccc2c(c1)C(C)(C)c1cc(C(C)Br)ccc1-2.
What is the InChIKey of 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene?
The InChIKey is JLJYRURCDRMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Br/c1-7-21(3,4)16-9-11-18-17-10-8-15(14(2)23)12-19(17)22(5,6)20(18)13-16/h8-14H,7H2,1-6H3.
What are the key properties of 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene?
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene has a molecular weight of 371.36 g/mol, XLogP of 7.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene is sourced from PubChem (CID 90463480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).