2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene

C13H3BrF6 — CID 44514075

IUPAC2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
SMILESFc1cc(F)c2c(c1F)-c1c(F)c(F)c(Br)c(F)c1C2
InChIInChI=1S/C13H3BrF6/c14-9-10(17)4-1-3-5(15)2-6(16)11(18)7(3)8(4)12(19)13(9)20/h2H,1H2
InChIKeyUBYSCRVBBTZFCO-UHFFFAOYSA-N
MW353.06 g/mol
LogP4.85
Rot. Bonds

About 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene

2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene (PubChem CID 44514075) has the molecular formula C13H3BrF6 and a molecular weight of 353.06 g/mol. Its IUPAC name is 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene.

Molecular Properties

Compound Name2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
PubChem CID44514075
Molecular FormulaC13H3BrF6
Molecular Weight353.06 g/mol
Exact Mass351.93
IUPAC Name2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
SMILESFc1cc(F)c2c(c1F)-c1c(F)c(F)c(Br)c(F)c1C2
InChIInChI=1S/C13H3BrF6/c14-9-10(17)4-1-3-5(15)2-6(16)11(18)7(3)8(4)12(19)13(9)20/h2H,1H2
InChIKeyUBYSCRVBBTZFCO-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.06
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-Bromo-9H-fluorene
CID 14336
2,7-Dibromofluorene
CID 140073
2-bromo-9,9-difluoro-7-iodo-9H-fluorene
CID 59611589
3-bromo-9H-fluorene
CID 11959045
2,7-Dibromo-9,9-dimethylfluorene
CID 12123876
2-Bromo-7-iodo-9H-fluorene
CID 14290982
2,7-Dibromo-9,9-difluorofluorene
CID 59611235
5-Bromononafluoroindane
CID 57364089
5-bromo-1,1-difluoro-2,3-dihydro-1H-indene
CID 45790625
3-Bromo-9,9-dimethyl-9H-fluorene
CID 59629661
6-bromo-1,1-difluoro-2,3-dihydro-1H-indene
CID 84696291
5-bromo-4-fluoro-2,3-dihydro-1H-indene
CID 126560536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The IUPAC name of 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene (CID 44514075) is 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene.
What is the SMILES notation for 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The canonical SMILES for 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene is Fc1cc(F)c2c(c1F)-c1c(F)c(F)c(Br)c(F)c1C2.
What is the InChIKey of 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The InChIKey is UBYSCRVBBTZFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H3BrF6/c14-9-10(17)4-1-3-5(15)2-6(16)11(18)7(3)8(4)12(19)13(9)20/h2H,1H2.
What are the key properties of 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene has a molecular weight of 353.06 g/mol, XLogP of 4.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene is sourced from PubChem (CID 44514075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).