1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane

C4H4F5I — CID 19781236

IUPAC1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C4H4F5I/c1-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyVWILKZTZEZNEDW-UHFFFAOYSA-N
MW273.97 g/mol
LogP3.21
Rot. Bonds1

About 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane

1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane (PubChem CID 19781236) has the molecular formula C4H4F5I and a molecular weight of 273.97 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane
PubChem CID19781236
Molecular FormulaC4H4F5I
Molecular Weight273.97 g/mol
Exact Mass273.93
IUPAC Name1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane
SMILESCC(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C4H4F5I/c1-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyVWILKZTZEZNEDW-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.97
LogP ≤ 53.21
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 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane (CID 19781236) is 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane is CC(C(F)(F)F)C(F)(F)I.
What is the InChIKey of 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane?
The InChIKey is VWILKZTZEZNEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5I/c1-2(3(5,6)7)4(8,9)10/h2H,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane?
1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane has a molecular weight of 273.97 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-3-iodo-2-methylpropane is sourced from PubChem (CID 19781236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).