1,1,1,2,3,3-hexafluoro-3-iodopropane

C3HF6I — CID 23236058

IUPAC1,1,1,2,3,3-hexafluoro-3-iodopropane
SMILESFC(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C3HF6I/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKeyXAEBOKNDLJGKJA-UHFFFAOYSA-N
MW277.93 g/mol
LogP2.91
Rot. Bonds1

About 1,1,1,2,3,3-hexafluoro-3-iodopropane

1,1,1,2,3,3-hexafluoro-3-iodopropane (PubChem CID 23236058) has the molecular formula C3HF6I and a molecular weight of 277.93 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-iodopropane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-iodopropane
PubChem CID23236058
Molecular FormulaC3HF6I
Molecular Weight277.93 g/mol
Exact Mass277.90
IUPAC Name1,1,1,2,3,3-hexafluoro-3-iodopropane
SMILESFC(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C3HF6I/c4-1(2(5,6)7)3(8,9)10/h1H
InChIKeyXAEBOKNDLJGKJA-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.93
LogP ≤ 52.91
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-iodopropane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-iodopropane (CID 23236058) is 1,1,1,2,3,3-hexafluoro-3-iodopropane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-iodopropane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-iodopropane is FC(C(F)(F)F)C(F)(F)I.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-iodopropane?
The InChIKey is XAEBOKNDLJGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF6I/c4-1(2(5,6)7)3(8,9)10/h1H.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-iodopropane?
1,1,1,2,3,3-hexafluoro-3-iodopropane has a molecular weight of 277.93 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-iodopropane is sourced from PubChem (CID 23236058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).