1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane

C5H4F7IO — CID 170556920

IUPAC1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane
SMILESFC(F)C(F)OC(F)(F)C(F)(F)CI
InChIInChI=1S/C5H4F7IO/c6-2(7)3(8)14-5(11,12)4(9,10)1-13/h2-3H,1H2
InChIKeyCVIUBRONWJATLP-UHFFFAOYSA-N
MW339.98 g/mol
LogP3.23
Rot. Bonds5

About 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane

1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane (PubChem CID 170556920) has the molecular formula C5H4F7IO and a molecular weight of 339.98 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane
PubChem CID170556920
Molecular FormulaC5H4F7IO
Molecular Weight339.98 g/mol
Exact Mass339.92
IUPAC Name1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane
SMILESFC(F)C(F)OC(F)(F)C(F)(F)CI
InChIInChI=1S/C5H4F7IO/c6-2(7)3(8)14-5(11,12)4(9,10)1-13/h2-3H,1H2
InChIKeyCVIUBRONWJATLP-UHFFFAOYSA-N
XLogP3.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.98
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1,2-difluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]-1,1,2,2,2-pentafluoroethane
CID 175740142
1,1,2,2,3,3,4,4-octafluoro-5-iodopentane
CID 2775883
1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
CID 130434954
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-9-iodononane
CID 10816307
1,1,3,4,4-pentafluoro-1-iodobutane
CID 150789350
1,1,2,2,4,4-hexafluoro-1-(1,1,2,2,4,4-hexafluorobutoxy)butane
CID 87322712
1-iodo-2-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propane
CID 114774571
1,1,3,3-tetrafluoro-1-iodopropane
CID 129244940
bis(1,2,2-trifluoroethoxy)-(3,3,3-trifluoropropyl)silane
CID 123609783
1,1,1,2,2,4-hexafluoro-4-(1,3,3,4,4,4-hexafluorobutoxy)butane
CID 87404222
1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
CID 174963973
(2S)-2-fluoro-1,2-diiodopropane
CID 173497800

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane (CID 170556920) is 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane is FC(F)C(F)OC(F)(F)C(F)(F)CI.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane?
The InChIKey is CVIUBRONWJATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F7IO/c6-2(7)3(8)14-5(11,12)4(9,10)1-13/h2-3H,1H2.
What are the key properties of 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane?
1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane has a molecular weight of 339.98 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 170556920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).