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

C6H5F7O2 — CID 118138220

IUPAC3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-2-3-14-4(7,8)5(9,10)15-6(11,12)13/h2H,1,3H2
InChIKeyPMTHFKKCIILRBI-UHFFFAOYSA-N
MW242.09 g/mol
LogP2.91
Rot. Bonds5

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

3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene (PubChem CID 118138220) has the molecular formula C6H5F7O2 and a molecular weight of 242.09 g/mol. Its IUPAC name is 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene.

Molecular Properties

Compound Name3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene
PubChem CID118138220
Molecular FormulaC6H5F7O2
Molecular Weight242.09 g/mol
Exact Mass242.02
IUPAC Name3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene
SMILESC=CCOC(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C6H5F7O2/c1-2-3-14-4(7,8)5(9,10)15-6(11,12)13/h2H,1,3H2
InChIKeyPMTHFKKCIILRBI-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene?
The IUPAC name of 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene (CID 118138220) is 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene.
What is the SMILES notation for 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene?
The canonical SMILES for 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene is C=CCOC(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene?
The InChIKey is PMTHFKKCIILRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O2/c1-2-3-14-4(7,8)5(9,10)15-6(11,12)13/h2H,1,3H2.
What are the key properties of 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene?
3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene has a molecular weight of 242.09 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]prop-1-ene is sourced from PubChem (CID 118138220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).