1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene

C12H15F3 — CID 166564224

IUPAC1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
SMILESCc1ccccc1CC(C)(C)C(F)(F)F
InChIInChI=1S/C12H15F3/c1-9-6-4-5-7-10(9)8-11(2,3)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyNNTYLZPABDOTTJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.13
Rot. Bonds2

About 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene

1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene (PubChem CID 166564224) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene.

Molecular Properties

Compound Name1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
PubChem CID166564224
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
SMILESCc1ccccc1CC(C)(C)C(F)(F)F
InChIInChI=1S/C12H15F3/c1-9-6-4-5-7-10(9)8-11(2,3)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyNNTYLZPABDOTTJ-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(2,2-dimethylbut-3-ynyl)-2-methylbenzene
CID 122240113
1-(2,2-difluoro-2-isocyanatoethyl)-2-methylbenzene
CID 105450437
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
CID 132547565
2-(2-chlorophenyl)-1-(2-methylphenyl)propan-2-ol
CID 54919421
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
CID 154678326
CID 154678326

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The IUPAC name of 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene (CID 166564224) is 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene.
What is the SMILES notation for 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The canonical SMILES for 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene is Cc1ccccc1CC(C)(C)C(F)(F)F.
What is the InChIKey of 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
The InChIKey is NNTYLZPABDOTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-9-6-4-5-7-10(9)8-11(2,3)12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene?
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene is sourced from PubChem (CID 166564224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).