1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane

C5H2F9I — CID 12702828

IUPAC1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(CI)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F9I/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h1H2
InChIKeySQBUIDXWXSWADZ-UHFFFAOYSA-N
MW359.96 g/mol
LogP4.09
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane

1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane (PubChem CID 12702828) has the molecular formula C5H2F9I and a molecular weight of 359.96 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane
PubChem CID12702828
Molecular FormulaC5H2F9I
Molecular Weight359.96 g/mol
Exact Mass359.91
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane
SMILESFC(F)(F)C(CI)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H2F9I/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h1H2
InChIKeySQBUIDXWXSWADZ-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.96
LogP ≤ 54.09
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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Related Compounds

Heptafluorobutyl iodide
CID 67806
4H-Octafluoro-1-iodobutane
CID 2775868
2-(Iodomethyl)-1,1,1,3,3,3-hexafluoropropane
CID 3750672
2-Iodo-1,1,1,4,4,4-hexafluorobutane
CID 44717529
1h-Heptafluorobutyl iodide
CID 20749592
1-Iodo-3-(trifluoromethyl)-1,1,3,4,4,4-hexafluorobutane
CID 58915552
2-[Difluoro(iodo)methyl]-1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane
CID 12525338
1,1,2,2,3,3-Hexafluoro-4-iodobutane
CID 13270484
1,1,1,2,3,3-Hexafluoro-4-iodobutane
CID 13442066
1,1,1,2,3,3,3-Heptafluoro-2-(iodomethyl)propane
CID 13868326
1,1,1,3,3,3-Hexafluoro-2-iodo-2-methylpropane
CID 19898071
1,1,2,2,3,4,4-Heptafluoro-1-iodobutane
CID 19937939

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane (CID 12702828) is 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane is FC(F)(F)C(CI)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane?
The InChIKey is SQBUIDXWXSWADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F9I/c6-3(7,8)2(1-15,4(9,10)11)5(12,13)14/h1H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane?
1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane has a molecular weight of 359.96 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(iodomethyl)-2-(trifluoromethyl)propane is sourced from PubChem (CID 12702828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).