5-bromo-5,5-difluoropentan-1-ol

C5H9BrF2O — CID 10845809

IUPAC5-bromo-5,5-difluoropentan-1-ol
SMILESOCCCCC(F)(F)Br
InChIInChI=1S/C5H9BrF2O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKeyZYLFOLUXHFTGOS-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.14
Rot. Bonds4

About 5-bromo-5,5-difluoropentan-1-ol

5-bromo-5,5-difluoropentan-1-ol (PubChem CID 10845809) has the molecular formula C5H9BrF2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 5-bromo-5,5-difluoropentan-1-ol.

Molecular Properties

Compound Name5-bromo-5,5-difluoropentan-1-ol
PubChem CID10845809
Molecular FormulaC5H9BrF2O
Molecular Weight203.03 g/mol
Exact Mass201.98
IUPAC Name5-bromo-5,5-difluoropentan-1-ol
SMILESOCCCCC(F)(F)Br
InChIInChI=1S/C5H9BrF2O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2
InChIKeyZYLFOLUXHFTGOS-UHFFFAOYSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.14
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'}

Analyze 5-bromo-5,5-difluoropentan-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 5-bromo-5,5-difluoropentan-1-ol?
The IUPAC name of 5-bromo-5,5-difluoropentan-1-ol (CID 10845809) is 5-bromo-5,5-difluoropentan-1-ol.
What is the SMILES notation for 5-bromo-5,5-difluoropentan-1-ol?
The canonical SMILES for 5-bromo-5,5-difluoropentan-1-ol is OCCCCC(F)(F)Br.
What is the InChIKey of 5-bromo-5,5-difluoropentan-1-ol?
The InChIKey is ZYLFOLUXHFTGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrF2O/c6-5(7,8)3-1-2-4-9/h9H,1-4H2.
What are the key properties of 5-bromo-5,5-difluoropentan-1-ol?
5-bromo-5,5-difluoropentan-1-ol has a molecular weight of 203.03 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-5,5-difluoropentan-1-ol is sourced from PubChem (CID 10845809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).