1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene

C10F18O3 — CID 141123570

IUPAC1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene
SMILESFC(OC(F)(F)F)=C(OC(=C(F)OC(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F18O3/c11-3(30-9(23,24)25)1(5(13,14)7(17,18)19)29-2(4(12)31-10(26,27)28)6(15,16)8(20,21)22
InChIKeyAUQPGFGVSLRQQV-UHFFFAOYSA-N
MW510.07 g/mol
LogP6.75
Rot. Bonds6

About 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene

1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene (PubChem CID 141123570) has the molecular formula C10F18O3 and a molecular weight of 510.07 g/mol. Its IUPAC name is 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene.

Molecular Properties

Compound Name1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene
PubChem CID141123570
Molecular FormulaC10F18O3
Molecular Weight510.07 g/mol
Exact Mass509.96
IUPAC Name1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene
SMILESFC(OC(F)(F)F)=C(OC(=C(F)OC(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F18O3/c11-3(30-9(23,24)25)1(5(13,14)7(17,18)19)29-2(4(12)31-10(26,27)28)6(15,16)8(20,21)22
InChIKeyAUQPGFGVSLRQQV-UHFFFAOYSA-N
XLogP6.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.07
LogP ≤ 56.75
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 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene with MolForge

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Related Compounds

1,2-difluoro-1,2-bis(trifluoromethoxy)ethene
CID 86055919
(3Z)-1,1,2,3,4-pentafluoro-4-(trifluoromethoxy)buta-1,3-diene
CID 87774691
(E)-1,2,3,3,3-pentafluoro-1-(trifluoromethoxy)prop-1-ene
CID 14875812
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
trifluoromethyl carbonofluoridate
CID 541789
4-bromo-2-(4-bromo-1,1,3,3,4,4-hexafluorobut-1-en-2-yl)oxy-1,1,3,3,4,4-hexafluorobut-1-ene
CID 56632525
trifluoromethoxycarbonyl trifluoromethyl carbonate
CID 158204157
3,3,4,4,4-pentafluoro-2-(3,3,4,4,4-pentafluorobut-1-en-2-yloxy)but-1-ene
CID 56625874
bis(trifluoromethyl) oxalate
CID 71350742
bis(trifluoromethyl) carbonate
CID 21263525
1,1,3,3,4,4,4-heptafluorobut-1-en-2-yloxybenzene
CID 58602117
1,1,2,3,4,4,5,5,5-nonafluoro-1-(1,1,2,3,4,4,5,5,5-nonafluoropent-2-enoxy)pent-2-ene
CID 141460580

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene?
The IUPAC name of 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene (CID 141123570) is 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene.
What is the SMILES notation for 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene?
The canonical SMILES for 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene is FC(OC(F)(F)F)=C(OC(=C(F)OC(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene?
The InChIKey is AUQPGFGVSLRQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F18O3/c11-3(30-9(23,24)25)1(5(13,14)7(17,18)19)29-2(4(12)31-10(26,27)28)6(15,16)8(20,21)22.
What are the key properties of 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene?
1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene has a molecular weight of 510.07 g/mol, XLogP of 6.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,4-hexafluoro-2-[1,3,3,4,4,4-hexafluoro-1-(trifluoromethoxy)but-1-en-2-yl]oxy-1-(trifluoromethoxy)but-1-ene is sourced from PubChem (CID 141123570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).