2-bromo-4,4,5,5,5-pentafluoropentan-1-ol

C5H6BrF5O — CID 46928251

IUPAC2-bromo-4,4,5,5,5-pentafluoropentan-1-ol
SMILESOCC(Br)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6BrF5O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2
InChIKeyPWHRYUWAMMUEPA-UHFFFAOYSA-N
MW257.00 g/mol
LogP2.33
Rot. Bonds3

About 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol

2-bromo-4,4,5,5,5-pentafluoropentan-1-ol (PubChem CID 46928251) has the molecular formula C5H6BrF5O and a molecular weight of 257.00 g/mol. Its IUPAC name is 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol.

Molecular Properties

Compound Name2-bromo-4,4,5,5,5-pentafluoropentan-1-ol
PubChem CID46928251
Molecular FormulaC5H6BrF5O
Molecular Weight257.00 g/mol
Exact Mass255.95
IUPAC Name2-bromo-4,4,5,5,5-pentafluoropentan-1-ol
SMILESOCC(Br)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6BrF5O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2
InChIKeyPWHRYUWAMMUEPA-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.00
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol?
The IUPAC name of 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol (CID 46928251) is 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol.
What is the SMILES notation for 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol?
The canonical SMILES for 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol is OCC(Br)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol?
The InChIKey is PWHRYUWAMMUEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrF5O/c6-3(2-12)1-4(7,8)5(9,10)11/h3,12H,1-2H2.
What are the key properties of 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol?
2-bromo-4,4,5,5,5-pentafluoropentan-1-ol has a molecular weight of 257.00 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4,5,5,5-pentafluoropentan-1-ol is sourced from PubChem (CID 46928251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).