2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane

C11H13F11O2 — CID 158359570

IUPAC2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane
SMILESCC(C)C(OC(F)(F)C(F)(OCC(C)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F11O2/c1-5(2)6(8(14,15)16)24-11(21,22)9(17,10(18,19)20)23-4-7(3,12)13/h5-6H,4H2,1-3H3
InChIKeyGTHLQFJKHOVARE-UHFFFAOYSA-N
MW386.20 g/mol
LogP5.08
Rot. Bonds7

About 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane

2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane (PubChem CID 158359570) has the molecular formula C11H13F11O2 and a molecular weight of 386.20 g/mol. Its IUPAC name is 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane.

Molecular Properties

Compound Name2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane
PubChem CID158359570
Molecular FormulaC11H13F11O2
Molecular Weight386.20 g/mol
Exact Mass386.07
IUPAC Name2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane
SMILESCC(C)C(OC(F)(F)C(F)(OCC(C)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H13F11O2/c1-5(2)6(8(14,15)16)24-11(21,22)9(17,10(18,19)20)23-4-7(3,12)13/h5-6H,4H2,1-3H3
InChIKeyGTHLQFJKHOVARE-UHFFFAOYSA-N
XLogP5.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.20
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane?
The IUPAC name of 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane (CID 158359570) is 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane.
What is the SMILES notation for 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane?
The canonical SMILES for 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane is CC(C)C(OC(F)(F)C(F)(OCC(C)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane?
The InChIKey is GTHLQFJKHOVARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F11O2/c1-5(2)6(8(14,15)16)24-11(21,22)9(17,10(18,19)20)23-4-7(3,12)13/h5-6H,4H2,1-3H3.
What are the key properties of 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane?
2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane has a molecular weight of 386.20 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoropropoxy)-1,1,2,3,3,3-hexafluoropropoxy]-1,1,1-trifluoro-3-methylbutane is sourced from PubChem (CID 158359570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).