2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene

C19H21F3 — CID 155328294

IUPAC2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)c(C(C)C)c2)c1
InChIInChI=1S/C19H21F3/c1-12(2)14-6-5-7-15(10-14)16-8-9-18(19(20,21)22)17(11-16)13(3)4/h5-13H,1-4H3
InChIKeyALSFUHDHGXZPOS-UHFFFAOYSA-N
MW306.37 g/mol
LogP6.62
Rot. Bonds3

About 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene

2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 155328294) has the molecular formula C19H21F3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
PubChem CID155328294
Molecular FormulaC19H21F3
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)c(C(C)C)c2)c1
InChIInChI=1S/C19H21F3/c1-12(2)14-6-5-7-15(10-14)16-8-9-18(19(20,21)22)17(11-16)13(3)4/h5-13H,1-4H3
InChIKeyALSFUHDHGXZPOS-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(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

2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 167218956
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
3,5-di(propan-2-yl)benzonitrile;2,4-di(propan-2-yl)-1-(trifluoromethyl)benzene;ethane
CID 178004660
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880
5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
CID 177292062
2,3-di(propan-2-yl)-5-(3-propan-2-ylphenyl)thiophene
CID 58462658
2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)aniline
CID 175665536
2,7-bis(3-propan-2-ylphenyl)-9H-carbazole
CID 118528823
3-propan-2-yl-4-(trifluoromethyl)benzaldehyde
CID 131513542

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene (CID 155328294) is 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene is CC(C)c1cccc(-c2ccc(C(F)(F)F)c(C(C)C)c2)c1.
What is the InChIKey of 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is ALSFUHDHGXZPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3/c1-12(2)14-6-5-7-15(10-14)16-8-9-18(19(20,21)22)17(11-16)13(3)4/h5-13H,1-4H3.
What are the key properties of 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene has a molecular weight of 306.37 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 155328294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).