1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene

C11H13F3O — CID 15864398

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3
InChIKeyYXTJJRXJNYHJPU-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.88
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene

1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene (PubChem CID 15864398) has the molecular formula C11H13F3O and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
PubChem CID15864398
Molecular FormulaC11H13F3O
Molecular Weight218.22 g/mol
Exact Mass218.09
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3
InChIKeyYXTJJRXJNYHJPU-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene (CID 15864398) is 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene is CC(C)(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
The InChIKey is YXTJJRXJNYHJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O/c1-10(2,3)15-9-6-4-8(5-7-9)11(12,13)14/h4-7H,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene?
1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene has a molecular weight of 218.22 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15864398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).