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

C8H3F15O — CID 88558522

IUPAC1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(OCC(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F15O/c9-2(5(14,15)16)4(13,24-1-3(10,11)12)6(17,7(18,19)20)8(21,22)23/h2H,1H2
InChIKeyGWJRFICOPFRKPQ-UHFFFAOYSA-N
MW400.08 g/mol
LogP4.96
Rot. Bonds4

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

1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane (PubChem CID 88558522) has the molecular formula C8H3F15O and a molecular weight of 400.08 g/mol. Its IUPAC name is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane
PubChem CID88558522
Molecular FormulaC8H3F15O
Molecular Weight400.08 g/mol
Exact Mass399.99
IUPAC Name1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane
SMILESFC(C(F)(F)F)C(F)(OCC(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H3F15O/c9-2(5(14,15)16)4(13,24-1-3(10,11)12)6(17,7(18,19)20)8(21,22)23/h2H,1H2
InChIKeyGWJRFICOPFRKPQ-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.08
LogP ≤ 54.96
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-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane?
The IUPAC name of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane (CID 88558522) is 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane.
What is the SMILES notation for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane?
The canonical SMILES for 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane is FC(C(F)(F)F)C(F)(OCC(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-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane?
The InChIKey is GWJRFICOPFRKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F15O/c9-2(5(14,15)16)4(13,24-1-3(10,11)12)6(17,7(18,19)20)8(21,22)23/h2H,1H2.
What are the key properties of 1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane?
1,1,1,2,3,4,5,5,5-nonafluoro-3-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane has a molecular weight of 400.08 g/mol, XLogP of 4.96, 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-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pentane is sourced from PubChem (CID 88558522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).