2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane

C8H9F9O3 — CID 18927697

IUPAC2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane
SMILESCC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H9F9O3/c1-5(18-2-6(9,10)11,19-3-7(12,13)14)20-4-8(15,16)17/h2-4H2,1H3
InChIKeyHQHHKLSLRFDUST-UHFFFAOYSA-N
MW324.14 g/mol
LogP3.40
Rot. Bonds6

About 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane

2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane (PubChem CID 18927697) has the molecular formula C8H9F9O3 and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane
PubChem CID18927697
Molecular FormulaC8H9F9O3
Molecular Weight324.14 g/mol
Exact Mass324.04
IUPAC Name2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane
SMILESCC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H9F9O3/c1-5(18-2-6(9,10)11,19-3-7(12,13)14)20-4-8(15,16)17/h2-4H2,1H3
InChIKeyHQHHKLSLRFDUST-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 53.40
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-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane (CID 18927697) is 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane is CC(OCC(F)(F)F)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
The InChIKey is HQHHKLSLRFDUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O3/c1-5(18-2-6(9,10)11,19-3-7(12,13)14)20-4-8(15,16)17/h2-4H2,1H3.
What are the key properties of 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane?
2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane has a molecular weight of 324.14 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(2,2,2-trifluoroethoxy)ethoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 18927697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).