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

C15H13F3 — CID 122368794

IUPAC1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-8,10H,9H2,1H3
InChIKeyQZAHDGWOUCGDRG-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.60
Rot. Bonds2

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

1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 122368794) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID122368794
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1ccc(Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-8,10H,9H2,1H3
InChIKeyQZAHDGWOUCGDRG-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-methyl-4-[[3-(2-methylbutan-2-yl)phenyl]methyl]benzene
CID 20558537
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
1-methyl-2-(trifluoromethoxy)-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 138534397
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
1-(diethoxymethyl)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 159790830
2-[(4-methylphenyl)methyl]-5-(trifluoromethyl)benzenethiol
CID 67458019
5-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carbaldehyde
CID 157346650
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
2-[4-[[3-(trifluoromethyl)phenyl]methyl]phenyl]ethyl N-methylcarbamate
CID 70467171
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene (CID 122368794) is 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene is Cc1ccc(Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is QZAHDGWOUCGDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c1-11-5-7-12(8-6-11)9-13-3-2-4-14(10-13)15(16,17)18/h2-8,10H,9H2,1H3.
What are the key properties of 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene?
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 250.26 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 122368794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).