1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene

C12H12F6 — CID 139245832

IUPAC1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(Cc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H12F6/c1-10(2,12(16,17)18)7-8-3-5-9(6-4-8)11(13,14)15/h3-6H,7H2,1-2H3
InChIKeyHETXLLFOGFIGGF-UHFFFAOYSA-N
MW270.22 g/mol
LogP4.84
Rot. Bonds2

About 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene

1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 139245832) has the molecular formula C12H12F6 and a molecular weight of 270.22 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
PubChem CID139245832
Molecular FormulaC12H12F6
Molecular Weight270.22 g/mol
Exact Mass270.08
IUPAC Name1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)(Cc1ccc(C(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C12H12F6/c1-10(2,12(16,17)18)7-8-3-5-9(6-4-8)11(13,14)15/h3-6H,7H2,1-2H3
InChIKeyHETXLLFOGFIGGF-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(3,3,3-trifluoro-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-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
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
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene (CID 139245832) is 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene is CC(C)(Cc1ccc(C(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is HETXLLFOGFIGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6/c1-10(2,12(16,17)18)7-8-3-5-9(6-4-8)11(13,14)15/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene?
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 270.22 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 139245832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).