2,2,3,3,4-pentafluoro-4-iodopentane

C5H6F5I — CID 139341461

IUPAC2,2,3,3,4-pentafluoro-4-iodopentane
SMILESCC(F)(F)C(F)(F)C(C)(F)I
InChIInChI=1S/C5H6F5I/c1-3(6,7)5(9,10)4(2,8)11/h1-2H3
InChIKeyBXMOHVATEXGJKP-UHFFFAOYSA-N
MW288.00 g/mol
LogP3.40
Rot. Bonds2

About 2,2,3,3,4-pentafluoro-4-iodopentane

2,2,3,3,4-pentafluoro-4-iodopentane (PubChem CID 139341461) has the molecular formula C5H6F5I and a molecular weight of 288.00 g/mol. Its IUPAC name is 2,2,3,3,4-pentafluoro-4-iodopentane.

Molecular Properties

Compound Name2,2,3,3,4-pentafluoro-4-iodopentane
PubChem CID139341461
Molecular FormulaC5H6F5I
Molecular Weight288.00 g/mol
Exact Mass287.94
IUPAC Name2,2,3,3,4-pentafluoro-4-iodopentane
SMILESCC(F)(F)C(F)(F)C(C)(F)I
InChIInChI=1S/C5H6F5I/c1-3(6,7)5(9,10)4(2,8)11/h1-2H3
InChIKeyBXMOHVATEXGJKP-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.00
LogP ≤ 53.40
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 2,2,3,3,4-pentafluoro-4-iodopentane?
The IUPAC name of 2,2,3,3,4-pentafluoro-4-iodopentane (CID 139341461) is 2,2,3,3,4-pentafluoro-4-iodopentane.
What is the SMILES notation for 2,2,3,3,4-pentafluoro-4-iodopentane?
The canonical SMILES for 2,2,3,3,4-pentafluoro-4-iodopentane is CC(F)(F)C(F)(F)C(C)(F)I.
What is the InChIKey of 2,2,3,3,4-pentafluoro-4-iodopentane?
The InChIKey is BXMOHVATEXGJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5I/c1-3(6,7)5(9,10)4(2,8)11/h1-2H3.
What are the key properties of 2,2,3,3,4-pentafluoro-4-iodopentane?
2,2,3,3,4-pentafluoro-4-iodopentane has a molecular weight of 288.00 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentafluoro-4-iodopentane is sourced from PubChem (CID 139341461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).