1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane

C5H7F5O2 — CID 58692125

IUPAC1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane
SMILESCC(F)(OCCF)OC(F)(F)F
InChIInChI=1S/C5H7F5O2/c1-4(7,11-3-2-6)12-5(8,9)10/h2-3H2,1H3
InChIKeyGMVYNJXKARYLJB-UHFFFAOYSA-N
MW194.10 g/mol
LogP2.15
Rot. Bonds4

About 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane

1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane (PubChem CID 58692125) has the molecular formula C5H7F5O2 and a molecular weight of 194.10 g/mol. Its IUPAC name is 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane
PubChem CID58692125
Molecular FormulaC5H7F5O2
Molecular Weight194.10 g/mol
Exact Mass194.04
IUPAC Name1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane
SMILESCC(F)(OCCF)OC(F)(F)F
InChIInChI=1S/C5H7F5O2/c1-4(7,11-3-2-6)12-5(8,9)10/h2-3H2,1H3
InChIKeyGMVYNJXKARYLJB-UHFFFAOYSA-N
XLogP2.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.10
LogP ≤ 52.15
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

Ethane, 1,1-diethoxy-2,2,2-trifluoro-
CID 207952
Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
Perfluoroacetone ethyl methyl ketal
CID 19707458
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
1,1,1-Trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 87694334
2-[Difluoro(2,2,2-trifluoroethoxy)methoxy]-1,1,1-trifluoroethane
CID 14203789
1,1-Diethoxy-2,2-difluoroethane
CID 85792662
1,1,1,3,3,3-Hexafluoro-2,2-bis(2,2,3,3,3-pentafluoropropoxy)propane
CID 10026653
1,1,1,3,3,3-Hexafluoro-2,2-dipropoxypropane
CID 15124859
1-[Difluoro(trifluoromethoxy)methoxy]-1,1-difluoro-2-methoxyethane
CID 15219437

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane?
The IUPAC name of 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane (CID 58692125) is 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane is CC(F)(OCCF)OC(F)(F)F.
What is the InChIKey of 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane?
The InChIKey is GMVYNJXKARYLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F5O2/c1-4(7,11-3-2-6)12-5(8,9)10/h2-3H2,1H3.
What are the key properties of 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane?
1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane has a molecular weight of 194.10 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(2-fluoroethoxy)-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 58692125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).