1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

C4H4F6O — CID 9528

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IUPAC1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
SMILESFC(F)(F)COCC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKeyKGPPDNUWZNWPSI-UHFFFAOYSA-N
MW182.06 g/mol
LogP2.13
Rot. Bonds2

About 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane

1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (PubChem CID 9528) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
PubChem CID9528
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane
SMILESFC(F)(F)COCC(F)(F)F
InChIInChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2
InChIKeyKGPPDNUWZNWPSI-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Heptafluoropropyl 1,2,2,2-tetrafluoroethyl ether
CID 94258
3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane
CID 2737027
1,1,2,2-Tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane
CID 2776662
1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)ethane
CID 164596
Ethyl perfluoroisobutyl ether
CID 205999
Ethoxynonafluorobutane
CID 206000
2-Ethoxy-1,1,1-trifluoroethane
CID 10003
1-Ethoxy-1,1,2,2-tetrafluoroethane
CID 120272
2-(1,1-Difluoroethoxy)-1,1,1-trifluoroethane
CID 11840937
1,1,2,2-Tetrafluoro-3-methoxypropane
CID 2783340
1,1,1,2,2,3,3-Heptafluoro-4-(2,2,3,3,4,4,4-heptafluorobutoxy)butane
CID 22646028
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane?
The IUPAC name of 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane (CID 9528) is 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane?
The canonical SMILES for 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane is FC(F)(F)COCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane?
The InChIKey is KGPPDNUWZNWPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O/c5-3(6,7)1-11-2-4(8,9)10/h1-2H2.
What are the key properties of 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane?
1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane has a molecular weight of 182.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2,2,2-trifluoroethoxy)ethane is sourced from PubChem (CID 9528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).