3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane

C8H6F12O — CID 58114565

IUPAC3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
SMILESCCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-4(10,3(9)5(11,12)13)6(14,7(15,16)17)8(18,19)20/h3H,2H2,1H3
InChIKeyUJMNWGOXMYFEHO-UHFFFAOYSA-N
MW346.11 g/mol
LogP4.42
Rot. Bonds4

About 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane

3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane (PubChem CID 58114565) has the molecular formula C8H6F12O and a molecular weight of 346.11 g/mol. Its IUPAC name is 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
PubChem CID58114565
Molecular FormulaC8H6F12O
Molecular Weight346.11 g/mol
Exact Mass346.02
IUPAC Name3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane
SMILESCCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F12O/c1-2-21-4(10,3(9)5(11,12)13)6(14,7(15,16)17)8(18,19)20/h3H,2H2,1H3
InChIKeyUJMNWGOXMYFEHO-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane (CID 58114565) is 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane is CCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane?
The InChIKey is UJMNWGOXMYFEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F12O/c1-2-21-4(10,3(9)5(11,12)13)6(14,7(15,16)17)8(18,19)20/h3H,2H2,1H3.
What are the key properties of 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane?
3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane has a molecular weight of 346.11 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1,2,3,4,5,5,5-nonafluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 58114565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).