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

C6H9F5O2 — CID 101495585

IUPAC2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane
SMILESFC(F)COCCOCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8)3-12-1-2-13-4-6(9,10)11/h5H,1-4H2
InChIKeyZWTPNQIKYGASCO-UHFFFAOYSA-N
MW208.13 g/mol
LogP1.85
Rot. Bonds6

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

2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane (PubChem CID 101495585) has the molecular formula C6H9F5O2 and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane
PubChem CID101495585
Molecular FormulaC6H9F5O2
Molecular Weight208.13 g/mol
Exact Mass208.05
IUPAC Name2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane
SMILESFC(F)COCCOCC(F)(F)F
InChIInChI=1S/C6H9F5O2/c7-5(8)3-12-1-2-13-4-6(9,10)11/h5H,1-4H2
InChIKeyZWTPNQIKYGASCO-UHFFFAOYSA-N
XLogP1.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 51.85
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]-1,1,1-trifluoroethane?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane (CID 101495585) is 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane is FC(F)COCCOCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
The InChIKey is ZWTPNQIKYGASCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O2/c7-5(8)3-12-1-2-13-4-6(9,10)11/h5H,1-4H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
2-[2-(2,2-difluoroethoxy)ethoxy]-1,1,1-trifluoroethane has a molecular weight of 208.13 g/mol, XLogP of 1.85, 6 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]-1,1,1-trifluoroethane is sourced from PubChem (CID 101495585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).