2-(2,2-difluoroethoxy)-1,1-diethoxyethane

C8H16F2O3 — CID 82006423

IUPAC2-(2,2-difluoroethoxy)-1,1-diethoxyethane
SMILESCCOC(COCC(F)F)OCC
InChIInChI=1S/C8H16F2O3/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8H,3-6H2,1-2H3
InChIKeyZMNYKTFKKMTHKH-UHFFFAOYSA-N
MW198.21 g/mol
LogP1.67
Rot. Bonds8

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

2-(2,2-difluoroethoxy)-1,1-diethoxyethane (PubChem CID 82006423) has the molecular formula C8H16F2O3 and a molecular weight of 198.21 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-1,1-diethoxyethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-1,1-diethoxyethane
PubChem CID82006423
Molecular FormulaC8H16F2O3
Molecular Weight198.21 g/mol
Exact Mass198.11
IUPAC Name2-(2,2-difluoroethoxy)-1,1-diethoxyethane
SMILESCCOC(COCC(F)F)OCC
InChIInChI=1S/C8H16F2O3/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8H,3-6H2,1-2H3
InChIKeyZMNYKTFKKMTHKH-UHFFFAOYSA-N
XLogP1.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-1,1-diethoxyethane?
The IUPAC name of 2-(2,2-difluoroethoxy)-1,1-diethoxyethane (CID 82006423) is 2-(2,2-difluoroethoxy)-1,1-diethoxyethane.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-1,1-diethoxyethane?
The canonical SMILES for 2-(2,2-difluoroethoxy)-1,1-diethoxyethane is CCOC(COCC(F)F)OCC.
What is the InChIKey of 2-(2,2-difluoroethoxy)-1,1-diethoxyethane?
The InChIKey is ZMNYKTFKKMTHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O3/c1-3-12-8(13-4-2)6-11-5-7(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-1,1-diethoxyethane?
2-(2,2-difluoroethoxy)-1,1-diethoxyethane has a molecular weight of 198.21 g/mol, XLogP of 1.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-1,1-diethoxyethane is sourced from PubChem (CID 82006423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).