2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol

C5H3F8IO — CID 23152245

IUPAC2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol
SMILESOC(I)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1-2,15H
InChIKeyRZFPULPWJYMJSR-UHFFFAOYSA-N
MW357.97 g/mol
LogP2.91
Rot. Bonds4

About 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol

2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol (PubChem CID 23152245) has the molecular formula C5H3F8IO and a molecular weight of 357.97 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol
PubChem CID23152245
Molecular FormulaC5H3F8IO
Molecular Weight357.97 g/mol
Exact Mass357.91
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol
SMILESOC(I)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C5H3F8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1-2,15H
InChIKeyRZFPULPWJYMJSR-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.97
LogP ≤ 52.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol (CID 23152245) is 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol is OC(I)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol?
The InChIKey is RZFPULPWJYMJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8IO/c6-1(7)3(8,9)5(12,13)4(10,11)2(14)15/h1-2,15H.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol?
2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol has a molecular weight of 357.97 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-1-iodopentan-1-ol is sourced from PubChem (CID 23152245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).