2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane

C11H18F6O2 — CID 90191552

IUPAC2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
SMILESCCCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O2/c1-4-6-7-9(10(12,13)14,11(15,16)17)19-8(3)18-5-2/h8H,4-7H2,1-3H3
InChIKeyCWWIRNWTKBZWEI-UHFFFAOYSA-N
MW296.25 g/mol
LogP4.44
Rot. Bonds7

About 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane

2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane (PubChem CID 90191552) has the molecular formula C11H18F6O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
PubChem CID90191552
Molecular FormulaC11H18F6O2
Molecular Weight296.25 g/mol
Exact Mass296.12
IUPAC Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
SMILESCCCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H18F6O2/c1-4-6-7-9(10(12,13)14,11(15,16)17)19-8(3)18-5-2/h8H,4-7H2,1-3H3
InChIKeyCWWIRNWTKBZWEI-UHFFFAOYSA-N
XLogP4.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 54.44
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

4-(1-Ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane
CID 13189251
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2-[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
CID 20756281
2,2,4,4,7-Pentafluoro-5-(methoxymethoxy)-5-(trifluoromethyl)nonane
CID 20764965
2-(Ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
CID 21362172
3-(1-Ethoxyethoxy)-2,2-difluoro-3-methylpentane
CID 57316865
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898
2-(1-Butoxyethoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 88047990
2-(1-Ethoxyethoxy)-3,3-difluoro-1-iodo-2-methylpentane
CID 88416150
2-[1,1,1-Trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane
CID 89298258
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
CID 89298259
1,1,1-Trifluoro-2-(1-methoxyethoxymethyl)pentane
CID 89901075

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane (CID 90191552) is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane.
What is the SMILES notation for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The canonical SMILES for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane is CCCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
The InChIKey is CWWIRNWTKBZWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O2/c1-4-6-7-9(10(12,13)14,11(15,16)17)19-8(3)18-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane?
2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane has a molecular weight of 296.25 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane is sourced from PubChem (CID 90191552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).