1-(1,1-difluoroethoxy)-1,1-difluoroethane

C4H6F4O — CID 18786208

IUPAC1-(1,1-difluoroethoxy)-1,1-difluoroethane
SMILESCC(F)(F)OC(C)(F)F
InChIInChI=1S/C4H6F4O/c1-3(5,6)9-4(2,7)8/h1-2H3
InChIKeyVBPQHEWBJDVOBN-UHFFFAOYSA-N
MW146.08 g/mol
LogP2.23
Rot. Bonds2

About 1-(1,1-difluoroethoxy)-1,1-difluoroethane

1-(1,1-difluoroethoxy)-1,1-difluoroethane (PubChem CID 18786208) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-1,1-difluoroethane
PubChem CID18786208
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name1-(1,1-difluoroethoxy)-1,1-difluoroethane
SMILESCC(F)(F)OC(C)(F)F
InChIInChI=1S/C4H6F4O/c1-3(5,6)9-4(2,7)8/h1-2H3
InChIKeyVBPQHEWBJDVOBN-UHFFFAOYSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-1,1-difluoroethane?
The IUPAC name of 1-(1,1-difluoroethoxy)-1,1-difluoroethane (CID 18786208) is 1-(1,1-difluoroethoxy)-1,1-difluoroethane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-1,1-difluoroethane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-1,1-difluoroethane is CC(F)(F)OC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-1,1-difluoroethane?
The InChIKey is VBPQHEWBJDVOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c1-3(5,6)9-4(2,7)8/h1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-1,1-difluoroethane?
1-(1,1-difluoroethoxy)-1,1-difluoroethane has a molecular weight of 146.08 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-1,1-difluoroethane is sourced from PubChem (CID 18786208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).