4,4,5,5,5-pentafluoro-2-iodopentan-1-ol

C5H6F5IO — CID 10968704

IUPAC4,4,5,5,5-pentafluoro-2-iodopentan-1-ol
SMILESOCC(I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h3,12H,1-2H2
InChIKeyHIYFWRNMQLCCPO-UHFFFAOYSA-N
MW304.00 g/mol
LogP2.37
Rot. Bonds3

About 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol

4,4,5,5,5-pentafluoro-2-iodopentan-1-ol (PubChem CID 10968704) has the molecular formula C5H6F5IO and a molecular weight of 304.00 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoro-2-iodopentan-1-ol
PubChem CID10968704
Molecular FormulaC5H6F5IO
Molecular Weight304.00 g/mol
Exact Mass303.94
IUPAC Name4,4,5,5,5-pentafluoro-2-iodopentan-1-ol
SMILESOCC(I)CC(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h3,12H,1-2H2
InChIKeyHIYFWRNMQLCCPO-UHFFFAOYSA-N
XLogP2.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.00
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,5-pentafluoro-2-iodopentan-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 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol?
The IUPAC name of 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol (CID 10968704) is 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol.
What is the SMILES notation for 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol?
The canonical SMILES for 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol is OCC(I)CC(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol?
The InChIKey is HIYFWRNMQLCCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5IO/c6-4(7,5(8,9)10)1-3(11)2-12/h3,12H,1-2H2.
What are the key properties of 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol?
4,4,5,5,5-pentafluoro-2-iodopentan-1-ol has a molecular weight of 304.00 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoro-2-iodopentan-1-ol is sourced from PubChem (CID 10968704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).