2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene

C13H2Br2F6 — CID 44514074

IUPAC2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
SMILESFc1c(F)c2c(c(F)c1Br)Cc1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C13H2Br2F6/c14-6-8(16)2-1-3-5(4(2)10(18)12(6)20)11(19)13(21)7(15)9(3)17/h1H2
InChIKeyTYJCRCGEKJFARE-UHFFFAOYSA-N
MW431.96 g/mol
LogP5.62
Rot. Bonds

About 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene

2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene (PubChem CID 44514074) has the molecular formula C13H2Br2F6 and a molecular weight of 431.96 g/mol. Its IUPAC name is 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene.

Molecular Properties

Compound Name2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
PubChem CID44514074
Molecular FormulaC13H2Br2F6
Molecular Weight431.96 g/mol
Exact Mass429.84
IUPAC Name2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
SMILESFc1c(F)c2c(c(F)c1Br)Cc1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C13H2Br2F6/c14-6-8(16)2-1-3-5(4(2)10(18)12(6)20)11(19)13(21)7(15)9(3)17/h1H2
InChIKeyTYJCRCGEKJFARE-UHFFFAOYSA-N
XLogP5.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.96
LogP ≤ 55.62
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

2,7-Dibromo-9,9-difluorofluorene
CID 59611235
5-Bromononafluoroindane
CID 57364089
2-bromo-1,3,4,5,6,7,8-heptafluoro-9H-fluorene
CID 44514073
2-Bromo-1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluorene
CID 101863134
2,7-Dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
CID 134941195
2-bromo-7-fluoro-9H-fluorene
CID 347238
2-bromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
CID 44514075
2-Bromo-9,9-bis(trifluoromethyl)fluorene
CID 53487913
2,7-Dibromo-9-fluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)fluorene
CID 58142239
3,6-Dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene
CID 59245679
2-bromo-9,9-difluoro-9H-fluorene
CID 78358305
CID 88359548
CID 88359548

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene (CID 44514074) is 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene.
What is the SMILES notation for 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The canonical SMILES for 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene is Fc1c(F)c2c(c(F)c1Br)Cc1c(F)c(Br)c(F)c(F)c1-2.
What is the InChIKey of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
The InChIKey is TYJCRCGEKJFARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H2Br2F6/c14-6-8(16)2-1-3-5(4(2)10(18)12(6)20)11(19)13(21)7(15)9(3)17/h1H2.
What are the key properties of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene?
2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene has a molecular weight of 431.96 g/mol, XLogP of 5.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene is sourced from PubChem (CID 44514074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).