1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene

C21H17F3 — CID 139967906

IUPAC1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
SMILESCc1ccc(C)c(-c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3/c1-14-7-8-15(2)20(13-14)19-6-4-3-5-18(19)16-9-11-17(12-10-16)21(22,23)24/h3-13H,1-2H3
InChIKeyJOKBGZFAWSBAEI-UHFFFAOYSA-N
MW326.36 g/mol
LogP6.66
Rot. Bonds2

About 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene

1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene (PubChem CID 139967906) has the molecular formula C21H17F3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
PubChem CID139967906
Molecular FormulaC21H17F3
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
SMILESCc1ccc(C)c(-c2ccccc2-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C21H17F3/c1-14-7-8-15(2)20(13-14)19-6-4-3-5-18(19)16-9-11-17(12-10-16)21(22,23)24/h3-13H,1-2H3
InChIKeyJOKBGZFAWSBAEI-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]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-methyl-7-(trifluoromethyl)tetraphenylene
CID 162399376
methane;1-methyl-4-(4-methylphenyl)-2-(2-phenylphenyl)benzene
CID 144583638
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1-methyl-2-(3-methylphenyl)-4-(trifluoromethyl)benzene
CID 91161720
3-chloro-6-(4-methylphenyl)-12-[4-(trifluoromethyl)phenyl]chrysene
CID 58501237
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
2-(2-fluorophenyl)-1,4-dimethylbenzene
CID 66641436
2,3-dichloro-1-methyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 171367983
1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]benzene;1,2,3-trifluoro-5-phenylbenzene
CID 158082344

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene (CID 139967906) is 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene is Cc1ccc(C)c(-c2ccccc2-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene?
The InChIKey is JOKBGZFAWSBAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3/c1-14-7-8-15(2)20(13-14)19-6-4-3-5-18(19)16-9-11-17(12-10-16)21(22,23)24/h3-13H,1-2H3.
What are the key properties of 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene?
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene has a molecular weight of 326.36 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene is sourced from PubChem (CID 139967906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).