1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane

C6F13IO2 — CID 169224794

IUPAC1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(I)C(F)(F)F
InChIInChI=1S/C6F13IO2/c7-1(2(8,9)10,21-6(17,18)19)4(14,15)22-5(16,20)3(11,12)13
InChIKeyCGMIAJBNBPPOFL-UHFFFAOYSA-N
MW477.94 g/mol
LogP4.98
Rot. Bonds4

About 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane

1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane (PubChem CID 169224794) has the molecular formula C6F13IO2 and a molecular weight of 477.94 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane
PubChem CID169224794
Molecular FormulaC6F13IO2
Molecular Weight477.94 g/mol
Exact Mass477.87
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane
SMILESFC(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(I)C(F)(F)F
InChIInChI=1S/C6F13IO2/c7-1(2(8,9)10,21-6(17,18)19)4(14,15)22-5(16,20)3(11,12)13
InChIKeyCGMIAJBNBPPOFL-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.94
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-[1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propan-2-yl]oxypropane
CID 101149053
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)propane
CID 14365945
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
CID 96560026
1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,2-pentafluoroethoxy)-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propane
CID 155982269
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoic acid
CID 87119578
1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
CID 18671047
1,1,2,2,3,3,4,4-octafluoro-1,4-bis[[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2-tetrafluoro-2-iodoethoxy)propan-2-yl]oxy]butane
CID 139632990
4,5,5,5-tetrafluoro-4-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propoxy]pentan-1-ol
CID 151641249
1,1,1,2,2,4,4,5,6,6,6-undecafluoro-3-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethoxy)-3-(trifluoromethyl)hexane
CID 15006634
1,1,1,2,3,3-hexafluoro-2-methoxy-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 90334352
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)propoxy]propanoyl fluoride
CID 155982267
3-chloro-1,1,1,2,3,4,4-heptafluoro-2-iodo-4-(trifluoromethoxy)butane
CID 19917287

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane (CID 169224794) is 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane is FC(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(I)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane?
The InChIKey is CGMIAJBNBPPOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13IO2/c7-1(2(8,9)10,21-6(17,18)19)4(14,15)22-5(16,20)3(11,12)13.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane has a molecular weight of 477.94 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoro-1-iodoethoxy)-2-(trifluoromethoxy)propane is sourced from PubChem (CID 169224794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).