2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene

C15Br2F12 — CID 134941195

IUPAC2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
SMILESFc1c(F)c2c(c(F)c1Br)C(C(F)(F)F)(C(F)(F)F)c1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C15Br2F12/c16-5-9(20)3-1(7(18)11(5)22)2-4(10(21)6(17)12(23)8(2)19)13(3,14(24,25)26)15(27,28)29
InChIKeyDOZSHVWSOJCVRK-UHFFFAOYSA-N
MW567.95 g/mol
LogP7.44
Rot. Bonds

About 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene

2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene (PubChem CID 134941195) has the molecular formula C15Br2F12 and a molecular weight of 567.95 g/mol. Its IUPAC name is 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene.

Molecular Properties

Compound Name2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
PubChem CID134941195
Molecular FormulaC15Br2F12
Molecular Weight567.95 g/mol
Exact Mass565.82
IUPAC Name2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
SMILESFc1c(F)c2c(c(F)c1Br)C(C(F)(F)F)(C(F)(F)F)c1c(F)c(Br)c(F)c(F)c1-2
InChIInChI=1S/C15Br2F12/c16-5-9(20)3-1(7(18)11(5)22)2-4(10(21)6(17)12(23)8(2)19)13(3,14(24,25)26)15(27,28)29
InChIKeyDOZSHVWSOJCVRK-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.95
LogP ≤ 57.44
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
2,7-dibromo-1,3,4,5,6,8-hexafluoro-9H-fluorene
CID 44514074
2-Bromo-1,3,4,5,6,7,8-heptafluoro-9,9-bis(trifluoromethyl)fluorene
CID 101863134
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
2,7-Dibromo-9-methyl-9-(trifluoromethyl)fluorene
CID 59005071
3,6-Dibromo-2,7-diiodo-9,9-bis(trifluoromethyl)fluorene
CID 59245679
2,7-Dibromo-9,9-bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-9H-fluorene
CID 87276004
2-Bromo-7-[7-bromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluoren-2-yl]-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene
CID 140146619

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene?
The IUPAC name of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene (CID 134941195) is 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene.
What is the SMILES notation for 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene?
The canonical SMILES for 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene is Fc1c(F)c2c(c(F)c1Br)C(C(F)(F)F)(C(F)(F)F)c1c(F)c(Br)c(F)c(F)c1-2.
What is the InChIKey of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene?
The InChIKey is DOZSHVWSOJCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15Br2F12/c16-5-9(20)3-1(7(18)11(5)22)2-4(10(21)6(17)12(23)8(2)19)13(3,14(24,25)26)15(27,28)29.
What are the key properties of 2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene?
2,7-dibromo-1,3,4,5,6,8-hexafluoro-9,9-bis(trifluoromethyl)fluorene has a molecular weight of 567.95 g/mol, XLogP of 7.44, 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-9,9-bis(trifluoromethyl)fluorene is sourced from PubChem (CID 134941195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).