2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane

C12H20F6O2 — CID 20756273

IUPAC2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
SMILESCCOC(C)OC(CC(C)CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O2/c1-5-8(3)7-10(11(13,14)15,12(16,17)18)20-9(4)19-6-2/h8-9H,5-7H2,1-4H3
InChIKeyCKWCZDRXKWLUAY-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.69
Rot. Bonds7

About 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane

2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane (PubChem CID 20756273) has the molecular formula C12H20F6O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
PubChem CID20756273
Molecular FormulaC12H20F6O2
Molecular Weight310.28 g/mol
Exact Mass310.14
IUPAC Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
SMILESCCOC(C)OC(CC(C)CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O2/c1-5-8(3)7-10(11(13,14)15,12(16,17)18)20-9(4)19-6-2/h8-9H,5-7H2,1-4H3
InChIKeyCKWCZDRXKWLUAY-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.69
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

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
1,5,5,7,7-Pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
CID 20781750
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
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-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
CID 89298259
1,1,1-Trifluoro-2-(1-methoxyethoxymethyl)pentane
CID 89901075
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
CID 90191552
Tert-butyl [1,1,1-trifluoro-2-(trifluoromethyl)hexan-2-yl] carbonate;2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 91179716
1,1,1-Trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 118052177

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane?
The IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane (CID 20756273) is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane.
What is the SMILES notation for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane?
The canonical SMILES for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane is CCOC(C)OC(CC(C)CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane?
The InChIKey is CKWCZDRXKWLUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O2/c1-5-8(3)7-10(11(13,14)15,12(16,17)18)20-9(4)19-6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane?
2-(1-ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane has a molecular weight of 310.28 g/mol, XLogP of 4.69, 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-4-methyl-2-(trifluoromethyl)hexane is sourced from PubChem (CID 20756273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).