2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane

C11H15F7O2 — CID 59010313

IUPAC2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C11H15F7O2/c1-3-19-8(6-4-5-7(2)20-8)9(12,10(13,14)15)11(16,17)18/h7H,3-6H2,1-2H3
InChIKeyQVRGYXINNZXVLR-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.14
Rot. Bonds3

About 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane

2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane (PubChem CID 59010313) has the molecular formula C11H15F7O2 and a molecular weight of 312.23 g/mol. Its IUPAC name is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane.

Molecular Properties

Compound Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane
PubChem CID59010313
Molecular FormulaC11H15F7O2
Molecular Weight312.23 g/mol
Exact Mass312.10
IUPAC Name2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1
InChIInChI=1S/C11H15F7O2/c1-3-19-8(6-4-5-7(2)20-8)9(12,10(13,14)15)11(16,17)18/h7H,3-6H2,1-2H3
InChIKeyQVRGYXINNZXVLR-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methoxy-6-methyloxane
CID 59010323
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[2-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxyethoxy]-6-methyloxane
CID 59010324
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5,6-dimethyl-4-(trifluoromethyl)oxane
CID 59010328
6-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-methyloxolan-2-yl]oxypropoxy]-2-methyloxane
CID 59010329
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methoxy-6-methyl-4-(1,1,2,2,2-pentafluoroethyl)oxane
CID 59010333
2-Ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-4-(trifluoromethyl)oxane
CID 59010335
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-4-(trifluoromethyl)oxan-2-yl]oxypropoxy]-6-methyl-4-(trifluoromethyl)oxane
CID 59010338
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-[3-[6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyloxan-2-yl]oxypropoxy]-6-methyloxane
CID 59010340
2,4-Bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
CID 59010341
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-6-methyl-2-propoxyoxane
CID 59010342
2-Ethoxy-3,3,4,4,5,5,6-heptafluoro-2,6-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxane
CID 59010343
2-Butoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane
CID 59010347

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane?
The IUPAC name of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane (CID 59010313) is 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane.
What is the SMILES notation for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane?
The canonical SMILES for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane is CCOC1(C(F)(C(F)(F)F)C(F)(F)F)CCCC(C)O1.
What is the InChIKey of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane?
The InChIKey is QVRGYXINNZXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O2/c1-3-19-8(6-4-5-7(2)20-8)9(12,10(13,14)15)11(16,17)18/h7H,3-6H2,1-2H3.
What are the key properties of 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane?
2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane has a molecular weight of 312.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methyloxane is sourced from PubChem (CID 59010313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).