2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane

C6H10F4O2 — CID 118937461

IUPAC2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane
SMILESFC(F)COCCOCC(F)F
InChIInChI=1S/C6H10F4O2/c7-5(8)3-11-1-2-12-4-6(9)10/h5-6H,1-4H2
InChIKeyKLOWBILJKLNSMB-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.55
Rot. Bonds7

About 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane

2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane (PubChem CID 118937461) has the molecular formula C6H10F4O2 and a molecular weight of 190.14 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane
PubChem CID118937461
Molecular FormulaC6H10F4O2
Molecular Weight190.14 g/mol
Exact Mass190.06
IUPAC Name2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane
SMILESFC(F)COCCOCC(F)F
InChIInChI=1S/C6H10F4O2/c7-5(8)3-11-1-2-12-4-6(9)10/h5-6H,1-4H2
InChIKeyKLOWBILJKLNSMB-UHFFFAOYSA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane (CID 118937461) is 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane is FC(F)COCCOCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane?
The InChIKey is KLOWBILJKLNSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O2/c7-5(8)3-11-1-2-12-4-6(9)10/h5-6H,1-4H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane?
2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane has a molecular weight of 190.14 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1-difluoroethane is sourced from PubChem (CID 118937461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).