1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane

C16H7F25O6 — CID 134295247

IUPAC1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane
SMILESC=CCOCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C16H7F25O6/c1-2-3-42-4-5(17,18)43-9(25,26)6(19,20)7(21,22)10(27,28)44-11(29,30)8(23,24)12(31,32)45-13(33,34)14(35,36)46-16(40,41)47-15(37,38)39/h2H,1,3-4H2
InChIKeyVSYHHKLSZMYCQM-UHFFFAOYSA-N
MW770.18 g/mol
LogP8.40
Rot. Bonds19

About 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane

1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane (PubChem CID 134295247) has the molecular formula C16H7F25O6 and a molecular weight of 770.18 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane.

Molecular Properties

Compound Name1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane
PubChem CID134295247
Molecular FormulaC16H7F25O6
Molecular Weight770.18 g/mol
Exact Mass769.98
IUPAC Name1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane
SMILESC=CCOCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F
InChIInChI=1S/C16H7F25O6/c1-2-3-42-4-5(17,18)43-9(25,26)6(19,20)7(21,22)10(27,28)44-11(29,30)8(23,24)12(31,32)45-13(33,34)14(35,36)46-16(40,41)47-15(37,38)39/h2H,1,3-4H2
InChIKeyVSYHHKLSZMYCQM-UHFFFAOYSA-N
XLogP8.40
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.18
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane with MolForge

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Related Compounds

3-[2-[[2-(2,2-Difluoroethenoxy)-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]prop-1-ene
CID 59866553
3-[1,1,2,2,2-Pentakis(fluoromethoxy)ethoxy]prop-1-ene
CID 175147916
CID 175718095
CID 175718095
CID 176307838
CID 176307838
3-[2-[Difluoro(1,1,2,2,2-pentafluoroethoxy)methoxy]-2,2-difluoroethoxy]prop-1-ene
CID 177282155

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The IUPAC name of 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane (CID 134295247) is 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane.
What is the SMILES notation for 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The canonical SMILES for 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane is C=CCOCC(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)OC(F)(F)F.
What is the InChIKey of 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The InChIKey is VSYHHKLSZMYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F25O6/c1-2-3-42-4-5(17,18)43-9(25,26)6(19,20)7(21,22)10(27,28)44-11(29,30)8(23,24)12(31,32)45-13(33,34)14(35,36)46-16(40,41)47-15(37,38)39/h2H,1,3-4H2.
What are the key properties of 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane has a molecular weight of 770.18 g/mol, XLogP of 8.40, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-prop-2-enoxyethoxy)-4-[3-[2-[difluoro(trifluoromethoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3-hexafluoropropoxy]-1,1,2,2,3,3,4,4-octafluorobutane is sourced from PubChem (CID 134295247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).