1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene

C12H15F3 — CID 14921472

IUPAC1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3/c1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyFTCSXJFZRHVXFY-UHFFFAOYSA-N
MW216.25 g/mol
LogP4.29
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene

1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 14921472) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
PubChem CID14921472
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3/c1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,8H2,1-3H3
InChIKeyFTCSXJFZRHVXFY-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)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

1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 62740976
1-[3-chloro-2-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)benzene
CID 79447195
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2-chloro-3-iodo-2-methylpropyl)-4-(trifluoromethyl)benzene
CID 138979218
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 173297949
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
1-(2,2-dimethylhexyl)-4-(trifluoromethyl)benzene
CID 146324258
1-(4-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 114833903
2-cyclopropyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 65146410
2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 83160551
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene (CID 14921472) is 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene is CC(C)(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is FTCSXJFZRHVXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3/c1-11(2,3)8-9-4-6-10(7-5-9)12(13,14)15/h4-7H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 14921472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).