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

C5H4F8O2 — CID 14203789

IUPAC2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-3(7,8)1-14-5(12,13)15-2-4(9,10)11/h1-2H2
InChIKeyKGPNTXUAWKQSNS-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.69
Rot. Bonds4

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

2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (PubChem CID 14203789) has the molecular formula C5H4F8O2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
PubChem CID14203789
Molecular FormulaC5H4F8O2
Molecular Weight248.07 g/mol
Exact Mass248.01
IUPAC Name2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
SMILESFC(F)(F)COC(F)(F)OCC(F)(F)F
InChIInChI=1S/C5H4F8O2/c6-3(7,8)1-14-5(12,13)15-2-4(9,10)11/h1-2H2
InChIKeyKGPNTXUAWKQSNS-UHFFFAOYSA-N
XLogP2.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,3,3-tetrafluoropropyl) Carbonate
CID 11659296
Bis(2,2,2-trifluoroethyl) Carbonate
CID 11447463
Bis(2,2,2-trifluoroethoxy)methanethione
CID 12836365
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
Bis(2,2-difluoroethyl) carbonate
CID 15985041
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
Bis-(tetrafluoropropyl)-carbonate
CID 87308878
1,1,1-Trifluoro-2-[tris(2,2,2-trifluoroethoxy)methoxy]ethane
CID 14943834
1-[Difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
CID 15219437
1,1-Diethoxy-1,2,2,2-tetrafluoroethane
CID 19981077

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane (CID 14203789) is 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is FC(F)(F)COC(F)(F)OCC(F)(F)F.
What is the InChIKey of 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
The InChIKey is KGPNTXUAWKQSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F8O2/c6-3(7,8)1-14-5(12,13)15-2-4(9,10)11/h1-2H2.
What are the key properties of 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane?
2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane has a molecular weight of 248.07 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 14203789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).