2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane

C4H5F5O — CID 11840937

IUPAC2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
SMILESCC(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3
InChIKeyLUGFHDZVRRASHY-UHFFFAOYSA-N
MW164.07 g/mol
LogP2.18
Rot. Bonds2

About 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane

2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane (PubChem CID 11840937) has the molecular formula C4H5F5O and a molecular weight of 164.07 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
PubChem CID11840937
Molecular FormulaC4H5F5O
Molecular Weight164.07 g/mol
Exact Mass164.03
IUPAC Name2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
SMILESCC(F)(F)OCC(F)(F)F
InChIInChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3
InChIKeyLUGFHDZVRRASHY-UHFFFAOYSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.07
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane?
The IUPAC name of 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane (CID 11840937) is 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane.
What is the SMILES notation for 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane?
The canonical SMILES for 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane is CC(F)(F)OCC(F)(F)F.
What is the InChIKey of 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane?
The InChIKey is LUGFHDZVRRASHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3.
What are the key properties of 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane?
2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane has a molecular weight of 164.07 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane is sourced from PubChem (CID 11840937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).