2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

C5F11I — CID 12525338

IUPAC2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C5F11I/c6-2(7,8)1(3(9,10)11,4(12,13)14)5(15,16)17
InChIKeyICCMQNANEVIOTE-UHFFFAOYSA-N
MW395.94 g/mol
LogP4.69
Rot. Bonds1

About 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane

2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (PubChem CID 12525338) has the molecular formula C5F11I and a molecular weight of 395.94 g/mol. Its IUPAC name is 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
PubChem CID12525338
Molecular FormulaC5F11I
Molecular Weight395.94 g/mol
Exact Mass395.89
IUPAC Name2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)I
InChIInChI=1S/C5F11I/c6-2(7,8)1(3(9,10)11,4(12,13)14)5(15,16)17
InChIKeyICCMQNANEVIOTE-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.94
LogP ≤ 54.69
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 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The IUPAC name of 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane (CID 12525338) is 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane.
What is the SMILES notation for 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The canonical SMILES for 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)I.
What is the InChIKey of 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
The InChIKey is ICCMQNANEVIOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5F11I/c6-2(7,8)1(3(9,10)11,4(12,13)14)5(15,16)17.
What are the key properties of 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane?
2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane has a molecular weight of 395.94 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane is sourced from PubChem (CID 12525338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).