1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane

C8H11F7O4 — CID 89251354

IUPAC1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane
SMILESCOC(OCC(F)(F)F)C(OC)OC(F)(F)C(F)F
InChIInChI=1S/C8H11F7O4/c1-16-4(18-3-7(11,12)13)5(17-2)19-8(14,15)6(9)10/h4-6H,3H2,1-2H3
InChIKeyNMFFKJSVSSHWRX-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.38
Rot. Bonds8

About 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane

1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane (PubChem CID 89251354) has the molecular formula C8H11F7O4 and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane
PubChem CID89251354
Molecular FormulaC8H11F7O4
Molecular Weight304.16 g/mol
Exact Mass304.05
IUPAC Name1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane
SMILESCOC(OCC(F)(F)F)C(OC)OC(F)(F)C(F)F
InChIInChI=1S/C8H11F7O4/c1-16-4(18-3-7(11,12)13)5(17-2)19-8(14,15)6(9)10/h4-6H,3H2,1-2H3
InChIKeyNMFFKJSVSSHWRX-UHFFFAOYSA-N
XLogP2.38
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-2-(1-methoxyethoxy)ethane
CID 87508044
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)butane
CID 19828970
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 144715413
1,1,1,2,3,3-hexafluoro-3-[2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 44599462
2-methyl-3-(2,2,2-trifluoroethoxy)butane
CID 59061021
2-(1,1,2,2-tetrafluoroethoxy)heptane
CID 139669700
2,2,2-trifluoroethoxymethanediolate
CID 149435105
1,3-bis(1,1,2,2-tetrafluoroethoxy)-2,2-bis(1,1,2,2-tetrafluoroethoxymethyl)propane
CID 15155951
dimethyl 2-(2,2,2-trifluoroethoxy)propanedioate
CID 146296842
1,1,2-trifluoro-3,3-dimethoxy-N-methylpropan-1-amine
CID 118010605
4,4,4-trifluoro-1,1-dimethoxybutan-2-amine
CID 19364765
1-(2,2-difluoro-1-methoxyethoxy)-1,1,2,2,2-pentafluoroethane
CID 173044414

Frequently Asked Questions

What is the IUPAC name of 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane (CID 89251354) is 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane is COC(OCC(F)(F)F)C(OC)OC(F)(F)C(F)F.
What is the InChIKey of 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane?
The InChIKey is NMFFKJSVSSHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F7O4/c1-16-4(18-3-7(11,12)13)5(17-2)19-8(14,15)6(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane?
1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane has a molecular weight of 304.16 g/mol, XLogP of 2.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-dimethoxy-2-(2,2,2-trifluoroethoxy)ethoxy]-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 89251354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).