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

C7H3F13O — CID 58114497

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane
SMILESFCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-1-21-3(10,2(9)4(11,12)13)5(14,6(15,16)17)7(18,19)20/h2H,1H2
InChIKeyTYODKJJVFDGLHK-UHFFFAOYSA-N
MW350.07 g/mol
LogP4.33
Rot. Bonds4

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

1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane (PubChem CID 58114497) has the molecular formula C7H3F13O and a molecular weight of 350.07 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane
PubChem CID58114497
Molecular FormulaC7H3F13O
Molecular Weight350.07 g/mol
Exact Mass350.00
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane
SMILESFCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H3F13O/c8-1-21-3(10,2(9)4(11,12)13)5(14,6(15,16)17)7(18,19)20/h2H,1H2
InChIKeyTYODKJJVFDGLHK-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.07
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane (CID 58114497) is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane is FCOC(F)(C(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane?
The InChIKey is TYODKJJVFDGLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F13O/c8-1-21-3(10,2(9)4(11,12)13)5(14,6(15,16)17)7(18,19)20/h2H,1H2.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane has a molecular weight of 350.07 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(fluoromethoxy)-2-(trifluoromethyl)pentane is sourced from PubChem (CID 58114497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).