2-bromo-9,9-difluoro-7-iodofluorene

C13H6BrF2I — CID 59611589

IUPAC2-bromo-9,9-difluoro-7-iodofluorene
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(I)cc21
InChIInChI=1S/C13H6BrF2I/c14-7-1-3-9-10-4-2-8(17)6-12(10)13(15,16)11(9)5-7/h1-6H
InChIKeyDKSYLEFLMUQPDJ-UHFFFAOYSA-N
MW407.00 g/mol
LogP5.17
Rot. Bonds

About 2-bromo-9,9-difluoro-7-iodofluorene

2-bromo-9,9-difluoro-7-iodofluorene (PubChem CID 59611589) has the molecular formula C13H6BrF2I and a molecular weight of 407.00 g/mol. Its IUPAC name is 2-bromo-9,9-difluoro-7-iodofluorene.

Molecular Properties

Compound Name2-bromo-9,9-difluoro-7-iodofluorene
PubChem CID59611589
Molecular FormulaC13H6BrF2I
Molecular Weight407.00 g/mol
Exact Mass405.87
IUPAC Name2-bromo-9,9-difluoro-7-iodofluorene
SMILESFC1(F)c2cc(Br)ccc2-c2ccc(I)cc21
InChIInChI=1S/C13H6BrF2I/c14-7-1-3-9-10-4-2-8(17)6-12(10)13(15,16)11(9)5-7/h1-6H
InChIKeyDKSYLEFLMUQPDJ-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.00
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-difluoro-7-iodofluorene?
The IUPAC name of 2-bromo-9,9-difluoro-7-iodofluorene (CID 59611589) is 2-bromo-9,9-difluoro-7-iodofluorene.
What is the SMILES notation for 2-bromo-9,9-difluoro-7-iodofluorene?
The canonical SMILES for 2-bromo-9,9-difluoro-7-iodofluorene is FC1(F)c2cc(Br)ccc2-c2ccc(I)cc21.
What is the InChIKey of 2-bromo-9,9-difluoro-7-iodofluorene?
The InChIKey is DKSYLEFLMUQPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF2I/c14-7-1-3-9-10-4-2-8(17)6-12(10)13(15,16)11(9)5-7/h1-6H.
What are the key properties of 2-bromo-9,9-difluoro-7-iodofluorene?
2-bromo-9,9-difluoro-7-iodofluorene has a molecular weight of 407.00 g/mol, XLogP of 5.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-difluoro-7-iodofluorene is sourced from PubChem (CID 59611589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).