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

C21H6Br2F18 — CID 58142239

IUPAC2,7-dibromo-9-fluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H6Br2F18/c22-7-1-3-9-10-4-2-8(23)6-12(10)13(24,11(9)5-7)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)41/h1-6H
InChIKeyUWPQLWMVFBOHQY-UHFFFAOYSA-N
MW760.05 g/mol
LogP10.41
Rot. Bonds7

About 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

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 (PubChem CID 58142239) has the molecular formula C21H6Br2F18 and a molecular weight of 760.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,7-dibromo-9-fluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)fluorene
PubChem CID58142239
Molecular FormulaC21H6Br2F18
Molecular Weight760.05 g/mol
Exact Mass757.85
IUPAC Name2,7-dibromo-9-fluoro-9-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)fluorene
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C21H6Br2F18/c22-7-1-3-9-10-4-2-8(23)6-12(10)13(24,11(9)5-7)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)41/h1-6H
InChIKeyUWPQLWMVFBOHQY-UHFFFAOYSA-N
XLogP10.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.05
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 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?
The InChIKey is UWPQLWMVFBOHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H6Br2F18/c22-7-1-3-9-10-4-2-8(23)6-12(10)13(24,11(9)5-7)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)19(35,36)20(37,38)21(39,40)41/h1-6H.
What are the key properties of 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?
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 has a molecular weight of 760.05 g/mol, XLogP of 10.41, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58142239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).