2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane

C7H4F8O2 — CID 58947064

IUPAC2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane
SMILESC=COC(OC=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F8O2/c1-2-16-5(6(10,11)12,7(13,14)15)17-3-4(8)9/h2-3H,1H2
InChIKeyKJWLIZSFTDJHLY-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.72
Rot. Bonds4

About 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane

2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane (PubChem CID 58947064) has the molecular formula C7H4F8O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane
PubChem CID58947064
Molecular FormulaC7H4F8O2
Molecular Weight272.09 g/mol
Exact Mass272.01
IUPAC Name2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane
SMILESC=COC(OC=C(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F8O2/c1-2-16-5(6(10,11)12,7(13,14)15)17-3-4(8)9/h2-3H,1H2
InChIKeyKJWLIZSFTDJHLY-UHFFFAOYSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dioxole, 2,2-bis(trifluoromethyl)-
CID 9815665
(E)-1-[difluoro-[(E)-2-fluoroethenoxy]methoxy]-2-fluoroethene
CID 19708223
1,3-Dioxole, 4-fluoro-2,2-bis(trifluoromethyl)-
CID 20271515
Ethenyl 1,1,1,3,3,3-hexafluoropropan-2-yl carbonate
CID 22116732
2-[Bis(2,2-difluoroethenoxy)methoxy]-1,1-difluoroethene
CID 23568268
1-{Difluoro[(2-fluoroethenyl)oxy]methoxy}-2-fluoroethene
CID 53867191
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,2-tetrafluoroethane
CID 57591523
1,1-Bis(2,2-difluoroethenoxy)-1,2,2,3,3,3-hexafluoropropane
CID 57591528
1,1,4,4,7,7-Hexafluoro-3,5-dioxa-1,6-heptadiene
CID 57591542
2,2-Bis(2,2-difluoroethenoxy)-1,1,1,3,3,3-hexafluoropropane
CID 57591547
2-Methyl-4-(trifluoromethoxy)-2-(trifluoromethyl)-1,3-dioxole
CID 58122665
1-[Ethenoxy(1,2,2-trifluoroethenoxy)methoxy]-1,2,2-trifluoroethene
CID 58195615

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane (CID 58947064) is 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane is C=COC(OC=C(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is KJWLIZSFTDJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F8O2/c1-2-16-5(6(10,11)12,7(13,14)15)17-3-4(8)9/h2-3H,1H2.
What are the key properties of 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane?
2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 272.09 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-2-ethenoxy-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 58947064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).