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

C17H14Br4 — CID 68813933

IUPAC2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
SMILESBrCCC1(CCBr)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H14Br4/c18-7-5-17(6-8-19)15-9-11(20)1-3-13(15)14-4-2-12(21)10-16(14)17/h1-4,9-10H,5-8H2
InChIKeyXMPMJNYWWVUWLS-UHFFFAOYSA-N
MW537.92 g/mol
LogP7.05
Rot. Bonds4

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

2,7-dibromo-9,9-bis(2-bromoethyl)fluorene (PubChem CID 68813933) has the molecular formula C17H14Br4 and a molecular weight of 537.92 g/mol. Its IUPAC name is 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
PubChem CID68813933
Molecular FormulaC17H14Br4
Molecular Weight537.92 g/mol
Exact Mass533.78
IUPAC Name2,7-dibromo-9,9-bis(2-bromoethyl)fluorene
SMILESBrCCC1(CCBr)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C17H14Br4/c18-7-5-17(6-8-19)15-9-11(20)1-3-13(15)14-4-2-12(21)10-16(14)17/h1-4,9-10H,5-8H2
InChIKeyXMPMJNYWWVUWLS-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.92
LogP ≤ 57.05
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

2-Bromo-9H-fluorene
CID 14336
2,7-Dibromofluorene
CID 140073
2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene]
CID 371282
2,7-Dibromo-9,9-dihexyl-9H-fluorene
CID 3539647
2,2'-Dibromo-9,9'-spirobifluorene
CID 11282885
3-bromo-9H-fluorene
CID 11959045
2,7-Dibromo-9,9'-spirobi[9H-fluorene]
CID 15544767
2-Bromo-9,9-dibutylfluorene
CID 22381647
5-bromo-2,3-dihydro-1H-indene
CID 267139
2,7-Dibromo-9,9-didecylfluorene
CID 3661211
2,7-Dibromo-9,9-didodecylfluorene
CID 5140914
2,7-Dibromo-9,9-di-n-octylfluorene
CID 5215321

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene?
The IUPAC name of 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene (CID 68813933) is 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene.
What is the SMILES notation for 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene?
The canonical SMILES for 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene is BrCCC1(CCBr)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene?
The InChIKey is XMPMJNYWWVUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br4/c18-7-5-17(6-8-19)15-9-11(20)1-3-13(15)14-4-2-12(21)10-16(14)17/h1-4,9-10H,5-8H2.
What are the key properties of 2,7-dibromo-9,9-bis(2-bromoethyl)fluorene?
2,7-dibromo-9,9-bis(2-bromoethyl)fluorene has a molecular weight of 537.92 g/mol, XLogP of 7.05, 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-bromoethyl)fluorene is sourced from PubChem (CID 68813933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).