2,7-dibromo-9,9-bis(2-methylpropyl)fluorene

C21H24Br2 — CID 22340866

IUPAC2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
SMILESCC(C)CC1(CC(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H24Br2/c1-13(2)11-21(12-14(3)4)19-9-15(22)5-7-17(19)18-8-6-16(23)10-20(18)21/h5-10,13-14H,11-12H2,1-4H3
InChIKeyONGJWHZCXXZDKP-UHFFFAOYSA-N
MW436.23 g/mol
LogP7.57
Rot. Bonds4

About 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene

2,7-dibromo-9,9-bis(2-methylpropyl)fluorene (PubChem CID 22340866) has the molecular formula C21H24Br2 and a molecular weight of 436.23 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
PubChem CID22340866
Molecular FormulaC21H24Br2
Molecular Weight436.23 g/mol
Exact Mass434.02
IUPAC Name2,7-dibromo-9,9-bis(2-methylpropyl)fluorene
SMILESCC(C)CC1(CC(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H24Br2/c1-13(2)11-21(12-14(3)4)19-9-15(22)5-7-17(19)18-8-6-16(23)10-20(18)21/h5-10,13-14H,11-12H2,1-4H3
InChIKeyONGJWHZCXXZDKP-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.23
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene (CID 22340866) is 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene is CC(C)CC1(CC(C)C)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene?
The InChIKey is ONGJWHZCXXZDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Br2/c1-13(2)11-21(12-14(3)4)19-9-15(22)5-7-17(19)18-8-6-16(23)10-20(18)21/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene?
2,7-dibromo-9,9-bis(2-methylpropyl)fluorene has a molecular weight of 436.23 g/mol, XLogP of 7.57, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-bis(2-methylpropyl)fluorene is sourced from PubChem (CID 22340866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).