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

C5H2F9I — CID 3696548

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2
InChIKeyHFCSJMGXADMMTI-UHFFFAOYSA-N
MW359.96 g/mol
LogP3.89
Rot. Bonds3

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

1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane (PubChem CID 3696548) has the molecular formula C5H2F9I and a molecular weight of 359.96 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
PubChem CID3696548
Molecular FormulaC5H2F9I
Molecular Weight359.96 g/mol
Exact Mass359.91
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)CI
InChIInChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2
InChIKeyHFCSJMGXADMMTI-UHFFFAOYSA-N
XLogP3.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.96
LogP ≤ 53.89
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 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane (CID 3696548) is 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CI.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane?
The InChIKey is HFCSJMGXADMMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F9I/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h1H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane?
1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane has a molecular weight of 359.96 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoro-5-iodopentane is sourced from PubChem (CID 3696548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).