6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane

C6H4BrF9 — CID 2736349

IUPAC6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr
InChIInChI=1S/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKeyUDFSAZKDTBRQDY-UHFFFAOYSA-N
MW326.98 g/mol
LogP4.24
Rot. Bonds4

About 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane

6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane (PubChem CID 2736349) has the molecular formula C6H4BrF9 and a molecular weight of 326.98 g/mol. Its IUPAC name is 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane.

Molecular Properties

Compound Name6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
PubChem CID2736349
Molecular FormulaC6H4BrF9
Molecular Weight326.98 g/mol
Exact Mass325.94
IUPAC Name6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr
InChIInChI=1S/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2
InChIKeyUDFSAZKDTBRQDY-UHFFFAOYSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.98
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The IUPAC name of 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane (CID 2736349) is 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane.
What is the SMILES notation for 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The canonical SMILES for 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCBr.
What is the InChIKey of 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The InChIKey is UDFSAZKDTBRQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF9/c7-2-1-3(8,9)4(10,11)5(12,13)6(14,15)16/h1-2H2.
What are the key properties of 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane has a molecular weight of 326.98 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,1,1,2,2,3,3,4,4-nonafluorohexane is sourced from PubChem (CID 2736349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).