1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene

C21H14F6 — CID 173305938

IUPAC1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(-c2ccccc2)c(C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H14F6/c1-13-12-16(14-8-4-2-5-9-14)19(21(25,26)27)17(18(13)20(22,23)24)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyYPWFZEVHGYKKNC-UHFFFAOYSA-N
MW380.33 g/mol
LogP7.37
Rot. Bonds2

About 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene

1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene (PubChem CID 173305938) has the molecular formula C21H14F6 and a molecular weight of 380.33 g/mol. Its IUPAC name is 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene
PubChem CID173305938
Molecular FormulaC21H14F6
Molecular Weight380.33 g/mol
Exact Mass380.10
IUPAC Name1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene
SMILESCc1cc(-c2ccccc2)c(C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C21H14F6/c1-13-12-16(14-8-4-2-5-9-14)19(21(25,26)27)17(18(13)20(22,23)24)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyYPWFZEVHGYKKNC-UHFFFAOYSA-N
XLogP7.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.33
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-methyl-3,5-diphenyl-2,4-bis(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

3,5-diphenyl-4-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzoic acid
CID 23018914
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
CID 177484765
2-methyl-1-phenyl-4-(trifluoromethyl)benzene;sulfanol
CID 174961722
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
5-[4-[1,3-dioxo-4-(trifluoromethyl)-2-benzofuran-5-yl]-2,5-diphenylphenyl]-4-(trifluoromethyl)-2-benzofuran-1,3-dione
CID 163600179
3-tert-butyl-2,4-difluoro-1-methyl-5-phenylbenzene
CID 164927245
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
CID 46189438
[3,5-dimethyl-4-(trifluoromethyl)phenyl]-diphenylsulfanium
CID 58205732
4-methyl-2,6-diphenylbenzene-1,3-diamine
CID 174990680
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
7-methyl-4,5-diphenyl-1,3-benzodioxole
CID 57112603
2,4,6-triphenyl-5-(trifluoromethyl)benzene-1,3-diamine
CID 170390398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene (CID 173305938) is 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene is Cc1cc(-c2ccccc2)c(C(F)(F)F)c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is YPWFZEVHGYKKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6/c1-13-12-16(14-8-4-2-5-9-14)19(21(25,26)27)17(18(13)20(22,23)24)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene?
1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 380.33 g/mol, XLogP of 7.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-diphenyl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 173305938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).