3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane

C10H16F6O2 — CID 129015976

IUPAC3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane
SMILESCC(C)(CCOC(C)(C)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-7(2,18-10(14,15)16)5-6-17-8(3,4)9(11,12)13/h5-6H2,1-4H3
InChIKeySSDDGFOUWCSGEK-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.05
Rot. Bonds5

About 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane

3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane (PubChem CID 129015976) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane.

Molecular Properties

Compound Name3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane
PubChem CID129015976
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane
SMILESCC(C)(CCOC(C)(C)C(F)(F)F)OC(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-7(2,18-10(14,15)16)5-6-17-8(3,4)9(11,12)13/h5-6H2,1-4H3
InChIKeySSDDGFOUWCSGEK-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane?
The IUPAC name of 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane (CID 129015976) is 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane.
What is the SMILES notation for 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane?
The canonical SMILES for 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane is CC(C)(CCOC(C)(C)C(F)(F)F)OC(F)(F)F.
What is the InChIKey of 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane?
The InChIKey is SSDDGFOUWCSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-7(2,18-10(14,15)16)5-6-17-8(3,4)9(11,12)13/h5-6H2,1-4H3.
What are the key properties of 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane?
3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane has a molecular weight of 282.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(trifluoromethoxy)-1-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutane is sourced from PubChem (CID 129015976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).