1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane

C6H11F3O2 — CID 177367826

IUPAC1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane
SMILESCCOCC(F)OCC(F)F
InChIInChI=1S/C6H11F3O2/c1-2-10-4-6(9)11-3-5(7)8/h5-6H,2-4H2,1H3
InChIKeyVZHDYIADYPNIFD-UHFFFAOYSA-N
MW172.15 g/mol
LogP1.60
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane

1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane (PubChem CID 177367826) has the molecular formula C6H11F3O2 and a molecular weight of 172.15 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane
PubChem CID177367826
Molecular FormulaC6H11F3O2
Molecular Weight172.15 g/mol
Exact Mass172.07
IUPAC Name1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane
SMILESCCOCC(F)OCC(F)F
InChIInChI=1S/C6H11F3O2/c1-2-10-4-6(9)11-3-5(7)8/h5-6H,2-4H2,1H3
InChIKeyVZHDYIADYPNIFD-UHFFFAOYSA-N
XLogP1.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane (CID 177367826) is 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane is CCOCC(F)OCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane?
The InChIKey is VZHDYIADYPNIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O2/c1-2-10-4-6(9)11-3-5(7)8/h5-6H,2-4H2,1H3.
What are the key properties of 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane?
1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane has a molecular weight of 172.15 g/mol, XLogP of 1.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-ethoxy-1-fluoroethane is sourced from PubChem (CID 177367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).