1,1,2,2,3,3,4,4-octafluoro-5-iodopentane

C5H3F8I — CID 2775883

IUPAC1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2
InChIKeyYMGYSVVJRMSEGU-UHFFFAOYSA-N
MW341.97 g/mol
LogP3.59
Rot. Bonds4

About 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane

1,1,2,2,3,3,4,4-octafluoro-5-iodopentane (PubChem CID 2775883) has the molecular formula C5H3F8I and a molecular weight of 341.97 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
PubChem CID2775883
Molecular FormulaC5H3F8I
Molecular Weight341.97 g/mol
Exact Mass341.92
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2
InChIKeyYMGYSVVJRMSEGU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.97
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane (CID 2775883) is 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane is FC(F)C(F)(F)C(F)(F)C(F)(F)CI.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane?
The InChIKey is YMGYSVVJRMSEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F8I/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2H,1H2.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane?
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane has a molecular weight of 341.97 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5-iodopentane is sourced from PubChem (CID 2775883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).