2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol

C5H6Br2F4O — CID 86027877

IUPAC2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol
SMILESOCC(Br)CC(F)(Br)C(F)(F)F
InChIInChI=1S/C5H6Br2F4O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2
InChIKeyJERIAEQGQXSEOA-UHFFFAOYSA-N
MW317.90 g/mol
LogP2.76
Rot. Bonds3

About 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol

2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol (PubChem CID 86027877) has the molecular formula C5H6Br2F4O and a molecular weight of 317.90 g/mol. Its IUPAC name is 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol.

Molecular Properties

Compound Name2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol
PubChem CID86027877
Molecular FormulaC5H6Br2F4O
Molecular Weight317.90 g/mol
Exact Mass315.87
IUPAC Name2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol
SMILESOCC(Br)CC(F)(Br)C(F)(F)F
InChIInChI=1S/C5H6Br2F4O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2
InChIKeyJERIAEQGQXSEOA-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.90
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol?
The IUPAC name of 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol (CID 86027877) is 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol.
What is the SMILES notation for 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol?
The canonical SMILES for 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol is OCC(Br)CC(F)(Br)C(F)(F)F.
What is the InChIKey of 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol?
The InChIKey is JERIAEQGQXSEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2F4O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2.
What are the key properties of 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol?
2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol has a molecular weight of 317.90 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-4,5,5,5-tetrafluoropentan-1-ol is sourced from PubChem (CID 86027877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).