1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene

C12F22O3 — CID 173022042

IUPAC1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene
SMILESFC(OC(F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22O3/c13-1(5(17,36-11(29,30)31)7(19,20)9(23,24)25)3(15)35-4(16)2(14)6(18,37-12(32,33)34)8(21,22)10(26,27)28
InChIKeyRAFKZQJAOFVEPI-UHFFFAOYSA-N
MW610.08 g/mol
LogP8.02
Rot. Bonds8

About 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene

1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene (PubChem CID 173022042) has the molecular formula C12F22O3 and a molecular weight of 610.08 g/mol. Its IUPAC name is 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene.

Molecular Properties

Compound Name1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene
PubChem CID173022042
Molecular FormulaC12F22O3
Molecular Weight610.08 g/mol
Exact Mass609.95
IUPAC Name1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene
SMILESFC(OC(F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12F22O3/c13-1(5(17,36-11(29,30)31)7(19,20)9(23,24)25)3(15)35-4(16)2(14)6(18,37-12(32,33)34)8(21,22)10(26,27)28
InChIKeyRAFKZQJAOFVEPI-UHFFFAOYSA-N
XLogP8.02
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.08
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene with MolForge

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Related Compounds

1,2,3,3,3-pentafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enoxy)prop-1-ene
CID 57349567
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CID 173370354
[(2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propanoyl] (2S)-2,3,3,3-tetrafluoro-2-(trifluoromethoxy)propaneperoxoate
CID 129405214
[(E)-1,1,1,2,2,3,5,6,7,7,7-undecafluoro-4,6-bis(trifluoromethyl)hept-4-en-3-yl]oxybenzene
CID 156565364
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(1,1,2,3,4,4,5,5,6,6,7,7,7-tridecafluorohept-2-enoxy)hept-2-ene
CID 154941709
1,1,1,2,2,4,4,5,5,5-decafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)-3-(trifluoromethyl)pentane
CID 170513614
8-(7-cyano-1,2,3,3,4,4,5,5,6,6,7,7-dodecafluorohept-1-enoxy)-2,2,3,3,4,4,5,5,6,6,7,8-dodecafluorooct-7-enenitrile
CID 173310680
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-pentatriacontafluoro-9-[tris(trifluoromethoxy)methyl]heptadecane
CID 162167695
1,3,3,4,4,4-hexafluoro-1-[1,3,3,4,4,4-hexafluoro-2-(trifluoromethyl)but-1-enoxy]-2-(trifluoromethyl)but-1-ene
CID 171612885
1-[difluoro(trifluoromethoxy)methoxy]-1,2,2-trifluoroethene
CID 71405026
1-[difluoro(1,2,2-trifluoroethenoxy)methoxy]-1,1,2,2,3,3,3-heptafluoropropane
CID 175694142

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene?
The IUPAC name of 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene (CID 173022042) is 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene.
What is the SMILES notation for 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene?
The canonical SMILES for 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene is FC(OC(F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F)=C(F)C(F)(OC(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene?
The InChIKey is RAFKZQJAOFVEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22O3/c13-1(5(17,36-11(29,30)31)7(19,20)9(23,24)25)3(15)35-4(16)2(14)6(18,37-12(32,33)34)8(21,22)10(26,27)28.
What are the key properties of 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene?
1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene has a molecular weight of 610.08 g/mol, XLogP of 8.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4,5,5,5-octafluoro-1-[1,2,3,4,4,5,5,5-octafluoro-3-(trifluoromethoxy)pent-1-enoxy]-3-(trifluoromethoxy)pent-1-ene is sourced from PubChem (CID 173022042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).