1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene

C5H4F6O2 — CID 58927003

IUPAC1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene
SMILESFCCOC(OC(F)(F)F)=C(F)F
InChIInChI=1S/C5H4F6O2/c6-1-2-12-4(3(7)8)13-5(9,10)11/h1-2H2
InChIKeyQRUMCIWDXHHVBM-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.57
Rot. Bonds4

About 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene

1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene (PubChem CID 58927003) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene.

Molecular Properties

Compound Name1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene
PubChem CID58927003
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene
SMILESFCCOC(OC(F)(F)F)=C(F)F
InChIInChI=1S/C5H4F6O2/c6-1-2-12-4(3(7)8)13-5(9,10)11/h1-2H2
InChIKeyQRUMCIWDXHHVBM-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene?
The IUPAC name of 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene (CID 58927003) is 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene.
What is the SMILES notation for 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene?
The canonical SMILES for 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene is FCCOC(OC(F)(F)F)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene?
The InChIKey is QRUMCIWDXHHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c6-1-2-12-4(3(7)8)13-5(9,10)11/h1-2H2.
What are the key properties of 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene?
1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene has a molecular weight of 210.07 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-fluoroethoxy)-2-(trifluoromethoxy)ethene is sourced from PubChem (CID 58927003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).