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

C7H7F9O3 — CID 3685970

IUPAC2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2
InChIKeyIESBVSNCDNHMSL-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.01
Rot. Bonds6

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

2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (PubChem CID 3685970) has the molecular formula C7H7F9O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
PubChem CID3685970
Molecular FormulaC7H7F9O3
Molecular Weight310.11 g/mol
Exact Mass310.03
IUPAC Name2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2
InChIKeyIESBVSNCDNHMSL-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.01
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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Related Compounds

Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
Bis(2-fluoroethoxy)methane
CID 88850796
Bis(2,2-difluoroethyl) carbonate
CID 15985041
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
1,1,1-Trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 87694334
1-Fluoro-2-(2-fluoroethoxymethoxymethoxy)ethane
CID 91374954
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
3,3'-[Oxybis(methyleneoxy)]bis(1,1,2,2-tetrafluoropropane)
CID 1798214
Propane, 2,2'-[methylenebis(oxy)]bis[1,1,1,3,3,3-hexafluoro-
CID 9950185
1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propane
CID 10943786
Bis(hexafluoroisopropoxymethyl)ether
CID 18413317

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (CID 3685970) is 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is FC(F)(F)COC(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The InChIKey is IESBVSNCDNHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O3/c8-5(9,10)1-17-4(18-2-6(11,12)13)19-3-7(14,15)16/h4H,1-3H2.
What are the key properties of 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane has a molecular weight of 310.11 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 3685970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).