4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene

C12H15F3O — CID 90224248

IUPAC4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
SMILESCc1ccc(C(C)(C)C)cc1OC(F)(F)F
InChIInChI=1S/C12H15F3O/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15/h5-7H,1-4H3
InChIKeyVMIXGZVBFCLRSU-UHFFFAOYSA-N
MW232.24 g/mol
LogP4.19
Rot. Bonds1

About 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene

4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene (PubChem CID 90224248) has the molecular formula C12H15F3O and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
PubChem CID90224248
Molecular FormulaC12H15F3O
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
SMILESCc1ccc(C(C)(C)C)cc1OC(F)(F)F
InChIInChI=1S/C12H15F3O/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15/h5-7H,1-4H3
InChIKeyVMIXGZVBFCLRSU-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene (CID 90224248) is 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene is Cc1ccc(C(C)(C)C)cc1OC(F)(F)F.
What is the InChIKey of 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene?
The InChIKey is VMIXGZVBFCLRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O/c1-8-5-6-9(11(2,3)4)7-10(8)16-12(13,14)15/h5-7H,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene?
4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene has a molecular weight of 232.24 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 90224248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).