5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane

C6H3Br2F9 — CID 2736781

IUPAC5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C6H3Br2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKeyABBOXTQECRSSQR-UHFFFAOYSA-N
MW405.88 g/mol
LogP4.61
Rot. Bonds4

About 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane

5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane (PubChem CID 2736781) has the molecular formula C6H3Br2F9 and a molecular weight of 405.88 g/mol. Its IUPAC name is 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane.

Molecular Properties

Compound Name5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
PubChem CID2736781
Molecular FormulaC6H3Br2F9
Molecular Weight405.88 g/mol
Exact Mass403.85
IUPAC Name5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)CBr
InChIInChI=1S/C6H3Br2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKeyABBOXTQECRSSQR-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 54.61
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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Related Compounds

1-Bromo-3,3,4,4,5,5,6,6,6-nonafluorohexane
CID 2736349
1-Bromo-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736358
1,1,2-Tribromo-1-(nonafluorobutyl)ethane
CID 2776850
7,7,8-Tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 23236470
9,9,10-Tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 21731515
7,8-Dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 52991870
4,5-Dibromo-1,1,1,2,2,3,3-heptafluoropentane
CID 56587764
9,10-Dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 56587769
11,12-Dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 131851307
1,5-Dibromo-2,2,3,3,4,4-hexafluoropentane
CID 2758035
3,4-Dibromo-1,1,1,2,2-pentafluorobutane
CID 2773990
2,3-Dibromo-1,1,1,4,4,4-hexafluorobutane
CID 2736774

Frequently Asked Questions

What is the IUPAC name of 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The IUPAC name of 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane (CID 2736781) is 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane.
What is the SMILES notation for 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The canonical SMILES for 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)CBr.
What is the InChIKey of 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
The InChIKey is ABBOXTQECRSSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2F9/c7-1-2(8)3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2.
What are the key properties of 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane?
5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane has a molecular weight of 405.88 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibromo-1,1,1,2,2,3,3,4,4-nonafluorohexane is sourced from PubChem (CID 2736781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).