3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene

C13H20F4O5 — CID 158483688

IUPAC3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCOCC(F)(F)OC(F)(F)COCC=C
InChIInChI=1S/C13H20F4O5/c1-3-5-18-7-8-20-11-21-10-13(16,17)22-12(14,15)9-19-6-4-2/h3-4H,1-2,5-11H2
InChIKeyHHVDEXYPFHXULR-UHFFFAOYSA-N
MW332.29 g/mol
LogP2.58
Rot. Bonds15

About 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene

3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene (PubChem CID 158483688) has the molecular formula C13H20F4O5 and a molecular weight of 332.29 g/mol. Its IUPAC name is 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene
PubChem CID158483688
Molecular FormulaC13H20F4O5
Molecular Weight332.29 g/mol
Exact Mass332.12
IUPAC Name3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene
SMILESC=CCOCCOCOCC(F)(F)OC(F)(F)COCC=C
InChIInChI=1S/C13H20F4O5/c1-3-5-18-7-8-20-11-21-10-13(16,17)22-12(14,15)9-19-6-4-2/h3-4H,1-2,5-11H2
InChIKeyHHVDEXYPFHXULR-UHFFFAOYSA-N
XLogP2.58
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

1,1,2,2-Tetrakis(allyloxy)ethane
CID 85528
1,1-Difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxyprop-1-ene
CID 10847511
Perfluoro-2,4,6,8,10-pentaoxaundecyl allyl ether
CID 129762152
Tetrakis-(allyloxy)-ethane
CID 10171481
3-(1,1,2,2-Tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
CID 57259911
1,1,1,2,2,3,3-Heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)prop-2-enoxy]prop-2-enoxy]propane
CID 57280272
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]-3-[1-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-2-enoxy]prop-1-ene
CID 88222594
3-[Tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene
CID 102038621
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoro-2-prop-2-enoxypropan-2-yl)oxy-2-prop-2-enoxypropane
CID 140338767
1-[2-[Difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane;methane;3-(prop-2-enoxymethoxy)prop-1-ene
CID 158929108
1-[2-[Difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane;3-(prop-2-enoxymethoxy)prop-1-ene
CID 161028972

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene?
The IUPAC name of 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene (CID 158483688) is 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene.
What is the SMILES notation for 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene?
The canonical SMILES for 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene is C=CCOCCOCOCC(F)(F)OC(F)(F)COCC=C.
What is the InChIKey of 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene?
The InChIKey is HHVDEXYPFHXULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F4O5/c1-3-5-18-7-8-20-11-21-10-13(16,17)22-12(14,15)9-19-6-4-2/h3-4H,1-2,5-11H2.
What are the key properties of 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene?
3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene has a molecular weight of 332.29 g/mol, XLogP of 2.58, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(1,1-difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene is sourced from PubChem (CID 158483688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).