6-bromo-5,5,6,6-tetrafluorohexan-1-ol

C6H9BrF4O — CID 23236922

IUPAC6-bromo-5,5,6,6-tetrafluorohexan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C6H9BrF4O/c7-6(10,11)5(8,9)3-1-2-4-12/h12H,1-4H2
InChIKeyZDABGWUMQNZNPK-UHFFFAOYSA-N
MW253.03 g/mol
LogP2.77
Rot. Bonds5

About 6-bromo-5,5,6,6-tetrafluorohexan-1-ol

6-bromo-5,5,6,6-tetrafluorohexan-1-ol (PubChem CID 23236922) has the molecular formula C6H9BrF4O and a molecular weight of 253.03 g/mol. Its IUPAC name is 6-bromo-5,5,6,6-tetrafluorohexan-1-ol.

Molecular Properties

Compound Name6-bromo-5,5,6,6-tetrafluorohexan-1-ol
PubChem CID23236922
Molecular FormulaC6H9BrF4O
Molecular Weight253.03 g/mol
Exact Mass251.98
IUPAC Name6-bromo-5,5,6,6-tetrafluorohexan-1-ol
SMILESOCCCCC(F)(F)C(F)(F)Br
InChIInChI=1S/C6H9BrF4O/c7-6(10,11)5(8,9)3-1-2-4-12/h12H,1-4H2
InChIKeyZDABGWUMQNZNPK-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.03
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5,5,6,6-tetrafluorohexan-1-ol?
The IUPAC name of 6-bromo-5,5,6,6-tetrafluorohexan-1-ol (CID 23236922) is 6-bromo-5,5,6,6-tetrafluorohexan-1-ol.
What is the SMILES notation for 6-bromo-5,5,6,6-tetrafluorohexan-1-ol?
The canonical SMILES for 6-bromo-5,5,6,6-tetrafluorohexan-1-ol is OCCCCC(F)(F)C(F)(F)Br.
What is the InChIKey of 6-bromo-5,5,6,6-tetrafluorohexan-1-ol?
The InChIKey is ZDABGWUMQNZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrF4O/c7-6(10,11)5(8,9)3-1-2-4-12/h12H,1-4H2.
What are the key properties of 6-bromo-5,5,6,6-tetrafluorohexan-1-ol?
6-bromo-5,5,6,6-tetrafluorohexan-1-ol has a molecular weight of 253.03 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5,5,6,6-tetrafluorohexan-1-ol is sourced from PubChem (CID 23236922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).