1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane

C12H20F6O — CID 57104099

IUPAC1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane
SMILESCC(C)(C)C(OC(C(C)(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-9(2,3)7(11(13,14)15)19-8(10(4,5)6)12(16,17)18/h7-8H,1-6H3
InChIKeyXWEDIEPXIMLWPH-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.96
Rot. Bonds2

About 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane

1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane (PubChem CID 57104099) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane
PubChem CID57104099
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane
SMILESCC(C)(C)C(OC(C(C)(C)C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-9(2,3)7(11(13,14)15)19-8(10(4,5)6)12(16,17)18/h7-8H,1-6H3
InChIKeyXWEDIEPXIMLWPH-UHFFFAOYSA-N
XLogP4.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
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-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane (CID 57104099) is 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane is CC(C)(C)C(OC(C(C)(C)C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane?
The InChIKey is XWEDIEPXIMLWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-9(2,3)7(11(13,14)15)19-8(10(4,5)6)12(16,17)18/h7-8H,1-6H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane?
1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane has a molecular weight of 294.28 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethyl-2-(1,1,1-trifluoro-3,3-dimethylbutan-2-yl)oxybutane is sourced from PubChem (CID 57104099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).