1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane

C8F15IO2 — CID 175689779

IUPAC1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C8F15IO2/c9-1(10)2(11)25-6(18,19)3(12,13)4(14,15)7(20,21)26-8(22,23)5(16,17)24
InChIKeyBGDVFBXGBXEEER-UHFFFAOYSA-N
MW539.96 g/mol
LogP6.13
Rot. Bonds8

About 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane

1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane (PubChem CID 175689779) has the molecular formula C8F15IO2 and a molecular weight of 539.96 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
PubChem CID175689779
Molecular FormulaC8F15IO2
Molecular Weight539.96 g/mol
Exact Mass539.87
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane
SMILESFC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I
InChIInChI=1S/C8F15IO2/c9-1(10)2(11)25-6(18,19)3(12,13)4(14,15)7(20,21)26-8(22,23)5(16,17)24
InChIKeyBGDVFBXGBXEEER-UHFFFAOYSA-N
XLogP6.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.96
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)-3-(1,2,2-trifluoroethenoxy)propane
CID 11730669
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluoro-31-(1,2,2-trifluoroethenoxy)hentriacontane
CID 175893093
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-(1,2,2-trifluoroethenoxy)octane
CID 19837350
1,1,2,2,3,3,4,4-octafluoro-1-(1,2,2-trifluoroethenoxy)pentane
CID 88551399
1,1,2,2-tetrafluoro-2-[1,1,2,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propoxy]ethanesulfonic acid
CID 22568765
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
1,1,2,3,3,4,4,5,5-nonafluoro-5-(1,2,2-trifluoroethenoxy)pent-1-ene
CID 14496010
1-[2-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethane
CID 175691538
2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoyl fluoride
CID 100950644
1,1,2,2,3,3,4-heptafluoro-1-(1,2,2-trifluoroethenoxy)butane
CID 88901327
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142
1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,2,2-trifluoroethenoxy)pentane-1-sulfonyl fluoride
CID 175997144

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane (CID 175689779) is 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane is FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)I.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane?
The InChIKey is BGDVFBXGBXEEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F15IO2/c9-1(10)2(11)25-6(18,19)3(12,13)4(14,15)7(20,21)26-8(22,23)5(16,17)24.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane?
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane has a molecular weight of 539.96 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoro-2-iodoethoxy)-4-(1,2,2-trifluoroethenoxy)butane is sourced from PubChem (CID 175689779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).