1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane

C6H8F6O3 — CID 23553809

IUPAC1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane
SMILESCCOC(F)(F)OC(C)(F)OC(F)(F)F
InChIInChI=1S/C6H8F6O3/c1-3-13-6(11,12)15-4(2,7)14-5(8,9)10/h3H2,1-2H3
InChIKeyJBXPBZDKJNCYNQ-UHFFFAOYSA-N
MW242.11 g/mol
LogP2.77
Rot. Bonds5

About 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane

1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane (PubChem CID 23553809) has the molecular formula C6H8F6O3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane
PubChem CID23553809
Molecular FormulaC6H8F6O3
Molecular Weight242.11 g/mol
Exact Mass242.04
IUPAC Name1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane
SMILESCCOC(F)(F)OC(C)(F)OC(F)(F)F
InChIInChI=1S/C6H8F6O3/c1-3-13-6(11,12)15-4(2,7)14-5(8,9)10/h3H2,1-2H3
InChIKeyJBXPBZDKJNCYNQ-UHFFFAOYSA-N
XLogP2.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 52.77
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

Ethane, 1,1-diethoxy-2,2,2-trifluoro-
CID 207952
Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Ethyl 2,2,3,3-tetrafluoropropyl carbonate
CID 42634538
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
1,1,1-Trifluoro-2-[(2-methoxyethoxy)methoxy]ethane
CID 10976236
1,1,2,2,8,8,9,9-Octafluoro-4,6-dioxanonane
CID 12839497
Carbonic acid, 2,2-difluoroethyl ethyl ester
CID 15985039
Perfluoroacetone ethyl methyl ketal
CID 19707458
Methyl 2,2,3,3-tetrafluoropropyl carbonate
CID 21263425
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
Propyl 2,2,2-trifluoroethyl carbonate
CID 85868871
1,1,1-Trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
CID 87694334

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane?
The IUPAC name of 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane (CID 23553809) is 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane is CCOC(F)(F)OC(C)(F)OC(F)(F)F.
What is the InChIKey of 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane?
The InChIKey is JBXPBZDKJNCYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O3/c1-3-13-6(11,12)15-4(2,7)14-5(8,9)10/h3H2,1-2H3.
What are the key properties of 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane?
1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane has a molecular weight of 242.11 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(difluoro)methoxy]-1-fluoro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 23553809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).