2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene

C20H15F3 — CID 134974199

IUPAC2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1c(-c2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3/c1-14-18(15-6-3-2-4-7-15)8-5-9-19(14)16-10-12-17(13-11-16)20(21,22)23/h2-13H,1H3
InChIKeyXPFSFDLLFHMJJR-UHFFFAOYSA-N
MW312.33 g/mol
LogP6.35
Rot. Bonds2

About 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene

2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134974199) has the molecular formula C20H15F3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134974199
Molecular FormulaC20H15F3
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCc1c(-c2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H15F3/c1-14-18(15-6-3-2-4-7-15)8-5-9-19(14)16-10-12-17(13-11-16)20(21,22)23/h2-13H,1H3
InChIKeyXPFSFDLLFHMJJR-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.33
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene (CID 134974199) is 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene is Cc1c(-c2ccccc2)cccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is XPFSFDLLFHMJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3/c1-14-18(15-6-3-2-4-7-15)8-5-9-19(14)16-10-12-17(13-11-16)20(21,22)23/h2-13H,1H3.
What are the key properties of 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene?
2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 312.33 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134974199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).