2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane

C10H15F7O2 — CID 21362172

IUPAC2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
SMILESCCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-3-18-6-19-8(9(12,13)14,10(15,16)17)4-7(2)5-11/h7H,3-6H2,1-2H3
InChIKeyHZSABZGLOJDCAN-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.86
Rot. Bonds7

About 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane

2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane (PubChem CID 21362172) has the molecular formula C10H15F7O2 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
PubChem CID21362172
Molecular FormulaC10H15F7O2
Molecular Weight300.21 g/mol
Exact Mass300.10
IUPAC Name2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
SMILESCCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F7O2/c1-3-18-6-19-8(9(12,13)14,10(15,16)17)4-7(2)5-11/h7H,3-6H2,1-2H3
InChIKeyHZSABZGLOJDCAN-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2-(Ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 20826490
1-[Difluoro(2,3,3-trifluorobutan-2-yloxy)methoxy]-2-methylbutane
CID 21052207
5,5-Difluoro-4,4,6-trimethyl-6-(trifluoromethyl)-1,3-dioxane
CID 57682163
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
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
CID 90191552
1,1,1-Trifluoro-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 118052177
1,1,1-Trifluoro-2-(methoxymethoxy)-3-methyl-2-(trifluoromethyl)pentane
CID 123845932
1,1,1,2,5,5,5-Heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
CID 129141697
1-Methyl-1-(2,2,2-trifluoroethoxymethoxy)cyclobutane
CID 151205663
1,1,1,2,5,5,5-Heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane;1,1,1-trifluoropropane
CID 161020950

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane?
The IUPAC name of 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane (CID 21362172) is 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane.
What is the SMILES notation for 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane?
The canonical SMILES for 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane is CCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane?
The InChIKey is HZSABZGLOJDCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F7O2/c1-3-18-6-19-8(9(12,13)14,10(15,16)17)4-7(2)5-11/h7H,3-6H2,1-2H3.
What are the key properties of 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane?
2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane has a molecular weight of 300.21 g/mol, XLogP of 3.86, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane is sourced from PubChem (CID 21362172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).