3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene

C7H6F8O2 — CID 87438911

IUPAC3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(F)(OC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F8O2/c1-2-3-16-7(15,6(12,13)14)17-4(8)5(9,10)11/h2,4H,1,3H2
InChIKeyTVKVCMGWACNVLU-UHFFFAOYSA-N
MW274.11 g/mol
LogP3.25
Rot. Bonds5

About 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene

3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene (PubChem CID 87438911) has the molecular formula C7H6F8O2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene
PubChem CID87438911
Molecular FormulaC7H6F8O2
Molecular Weight274.11 g/mol
Exact Mass274.02
IUPAC Name3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(F)(OC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H6F8O2/c1-2-3-16-7(15,6(12,13)14)17-4(8)5(9,10)11/h2,4H,1,3H2
InChIKeyTVKVCMGWACNVLU-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene (CID 87438911) is 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene is C=CCOC(F)(OC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene?
The InChIKey is TVKVCMGWACNVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O2/c1-2-3-16-7(15,6(12,13)14)17-4(8)5(9,10)11/h2,4H,1,3H2.
What are the key properties of 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene?
3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene has a molecular weight of 274.11 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,2,2,2-tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 87438911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).