2-(2,2-difluoroethoxy)-1,1-difluoroethane

C4H6F4O — CID 18924246

IUPAC2-(2,2-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)COCC(F)F
InChIInChI=1S/C4H6F4O/c5-3(6)1-9-2-4(7)8/h3-4H,1-2H2
InChIKeyMHLLQRDUPCIDMR-UHFFFAOYSA-N
MW146.08 g/mol
LogP1.53
Rot. Bonds4

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

2-(2,2-difluoroethoxy)-1,1-difluoroethane (PubChem CID 18924246) has the molecular formula C4H6F4O and a molecular weight of 146.08 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1,1-difluoroethane
PubChem CID18924246
Molecular FormulaC4H6F4O
Molecular Weight146.08 g/mol
Exact Mass146.04
IUPAC Name2-(2,2-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)COCC(F)F
InChIInChI=1S/C4H6F4O/c5-3(6)1-9-2-4(7)8/h3-4H,1-2H2
InChIKeyMHLLQRDUPCIDMR-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.08
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-difluoroethoxy)-1,1-difluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1,1-difluoroethane?
The IUPAC name of 2-(2,2-difluoroethoxy)-1,1-difluoroethane (CID 18924246) is 2-(2,2-difluoroethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1,1-difluoroethane?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1,1-difluoroethane is FC(F)COCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1,1-difluoroethane?
The InChIKey is MHLLQRDUPCIDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O/c5-3(6)1-9-2-4(7)8/h3-4H,1-2H2.
What are the key properties of 2-(2,2-difluoroethoxy)-1,1-difluoroethane?
2-(2,2-difluoroethoxy)-1,1-difluoroethane has a molecular weight of 146.08 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1,1-difluoroethane is sourced from PubChem (CID 18924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).