1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene

C12H15F3 — CID 54002630

IUPAC1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
SMILESCCC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3/c1-4-11(2,3)9-7-5-6-8-10(9)12(13,14)15/h5-8H,4H2,1-3H3
InChIKeyJVWFJMQLEQBIQO-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.39
Rot. Bonds2

About 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene

1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene (PubChem CID 54002630) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
PubChem CID54002630
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
SMILESCCC(C)(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H15F3/c1-4-11(2,3)9-7-5-6-8-10(9)12(13,14)15/h5-8H,4H2,1-3H3
InChIKeyJVWFJMQLEQBIQO-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-methyl-3-(2-methylbutan-2-yl)benzene
CID 134560935
N-ethyl-4-methyl-4-[2-(trifluoromethyl)phenyl]pentan-2-amine
CID 64715335
1-(4-chloro-2-methylpentan-2-yl)-2-(trifluoromethyl)benzene
CID 64715364
2-methyl-2-[2-(trifluoromethyl)phenyl]butanamide
CID 68627712
N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
CID 110477170
3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
2-(2-methylbutan-2-yl)-3-(trifluoromethyl)benzonitrile
CID 154951898
1-ethyl-2-(2-methylbutan-2-yl)benzene;methanamine;methane
CID 143578858
1-amino-2-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 62773576
2-fluoro-3-(2-methylbutan-2-yl)pyridine
CID 146620582
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
CID 62354628
1,3-difluoro-4-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene
CID 155021913

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene (CID 54002630) is 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene is CCC(C)(C)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene?
The InChIKey is JVWFJMQLEQBIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-4-11(2,3)9-7-5-6-8-10(9)12(13,14)15/h5-8H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene?
1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 54002630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).