1,1,1,2,2-pentafluoroethane iodide

C2HF5I- — CID 157061199

IUPAC1,1,1,2,2-pentafluoroethane iodide
SMILESFC(F)C(F)(F)F.[I-]
InChIInChI=1S/C2HF5.HI/c3-1(4)2(5,6)7;/h1H;1H/p-1
InChIKeyABIUNTZMGWQJDJ-UHFFFAOYSA-M
MW246.92 g/mol
LogP-1.18
Rot. Bonds

About 1,1,1,2,2-pentafluoroethane iodide

1,1,1,2,2-pentafluoroethane iodide (PubChem CID 157061199) has the molecular formula C2HF5I- and a molecular weight of 246.92 g/mol. Its IUPAC name is 1,1,1,2,2-pentafluoroethane iodide.

Molecular Properties

Compound Name1,1,1,2,2-pentafluoroethane iodide
PubChem CID157061199
Molecular FormulaC2HF5I-
Molecular Weight246.92 g/mol
Exact Mass246.90
IUPAC Name1,1,1,2,2-pentafluoroethane iodide
SMILESFC(F)C(F)(F)F.[I-]
InChIInChI=1S/C2HF5.HI/c3-1(4)2(5,6)7;/h1H;1H/p-1
InChIKeyABIUNTZMGWQJDJ-UHFFFAOYSA-M
XLogP-1.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.92
LogP ≤ 5-1.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

lithium;hydride;1,1,1,2,2-pentafluoroethane
CID 173225751
fluoro hypofluorite;1,1,1,2,2-pentafluoroethane
CID 174898665
CID 175520186
CID 175520186
CID 146226075
CID 146226075
1,1,1,2,2-pentafluoroethane;1,1,2,2,3-pentafluoropropane
CID 157410254
dilithium;hydrogen phosphate;1,1,1,2,2-pentafluoroethane
CID 174718444
1,2,2,2-tetrafluoroethanethiol
CID 57068914
1,2,2,2-tetrafluoroethyl-λ2-stannane
CID 174539767
1-deuterio-1,1,2,2,2-pentafluoroethane
CID 59129850
1,1,1,2,2-pentafluoroethane;triethylsulfanium;tritetrafluoroborate
CID 173032938
2,3-dibromo-1,1,2,3,4,4-hexafluorobutane
CID 171780319
1,1,1,2,3,3,4,4-octafluoropentane
CID 12829393

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2-pentafluoroethane iodide?
The IUPAC name of 1,1,1,2,2-pentafluoroethane iodide (CID 157061199) is 1,1,1,2,2-pentafluoroethane iodide.
What is the SMILES notation for 1,1,1,2,2-pentafluoroethane iodide?
The canonical SMILES for 1,1,1,2,2-pentafluoroethane iodide is FC(F)C(F)(F)F.[I-].
What is the InChIKey of 1,1,1,2,2-pentafluoroethane iodide?
The InChIKey is ABIUNTZMGWQJDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5.HI/c3-1(4)2(5,6)7;/h1H;1H/p-1.
What are the key properties of 1,1,1,2,2-pentafluoroethane iodide?
1,1,1,2,2-pentafluoroethane iodide has a molecular weight of 246.92 g/mol, XLogP of -1.18, 0 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-pentafluoroethane iodide is sourced from PubChem (CID 157061199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).