1,1-dibromo-1-fluorohexane

C6H11Br2F — CID 139643028

IUPAC1,1-dibromo-1-fluorohexane
SMILESCCCCCC(F)(Br)Br
InChIInChI=1S/C6H11Br2F/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3
InChIKeyIUBBPOFDMKIPTB-UHFFFAOYSA-N
MW261.96 g/mol
LogP3.98
Rot. Bonds4

About 1,1-dibromo-1-fluorohexane

1,1-dibromo-1-fluorohexane (PubChem CID 139643028) has the molecular formula C6H11Br2F and a molecular weight of 261.96 g/mol. Its IUPAC name is 1,1-dibromo-1-fluorohexane.

Molecular Properties

Compound Name1,1-dibromo-1-fluorohexane
PubChem CID139643028
Molecular FormulaC6H11Br2F
Molecular Weight261.96 g/mol
Exact Mass259.92
IUPAC Name1,1-dibromo-1-fluorohexane
SMILESCCCCCC(F)(Br)Br
InChIInChI=1S/C6H11Br2F/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3
InChIKeyIUBBPOFDMKIPTB-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.96
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-tribromononadecane
CID 118275809
1,1,1-tribromopentadecane
CID 118275781
12-bromo-12-undecyltricosane
CID 88743185
6-butyl-6-fluoroundecane
CID 11424735
1,1,1-trifluorohexadecane
CID 15685316
1-bromo-1,1-difluoro-2-methyloctan-2-ol
CID 107140438
1-bromo-1,1-difluoro-2-methylnonan-2-ol
CID 107140562
3,3-difluorooctane
CID 54258569
9-bromo-9-methylhenicosane
CID 155906452
1,1-difluorohexylarsane
CID 173206218
5-fluoro-5-methoxyhexadecane
CID 176907960
1,5-dibromo-5-fluorononane
CID 154211577

Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-1-fluorohexane?
The IUPAC name of 1,1-dibromo-1-fluorohexane (CID 139643028) is 1,1-dibromo-1-fluorohexane.
What is the SMILES notation for 1,1-dibromo-1-fluorohexane?
The canonical SMILES for 1,1-dibromo-1-fluorohexane is CCCCCC(F)(Br)Br.
What is the InChIKey of 1,1-dibromo-1-fluorohexane?
The InChIKey is IUBBPOFDMKIPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2F/c1-2-3-4-5-6(7,8)9/h2-5H2,1H3.
What are the key properties of 1,1-dibromo-1-fluorohexane?
1,1-dibromo-1-fluorohexane has a molecular weight of 261.96 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1-fluorohexane is sourced from PubChem (CID 139643028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).