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

C15H13F3 — CID 129029518

IUPAC1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1cccc(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3/c1-11-3-2-4-13(9-11)10-12-5-7-14(8-6-12)15(16,17)18/h2-9H,10H2,1H3
InChIKeyJJSCPRSCFXPVMX-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.60
Rot. Bonds2

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

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 129029518) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID129029518
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESCc1cccc(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H13F3/c1-11-3-2-4-13(9-11)10-12-5-7-14(8-6-12)15(16,17)18/h2-9H,10H2,1H3
InChIKeyJJSCPRSCFXPVMX-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-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 134862529
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
1-bromo-4-[(3-methylphenyl)methyl]benzene
CID 67156138
3-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 144539851
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1,2-dimethyl-4-[(3-methylphenyl)methyl]benzene
CID 20706895
3,6-ditert-butyl-9-[4-[(3-methylphenyl)methyl]phenyl]carbazole
CID 145348013
1-azido-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 164883914
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875
1-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100627942

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene (CID 129029518) is 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene is Cc1cccc(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is JJSCPRSCFXPVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c1-11-3-2-4-13(9-11)10-12-5-7-14(8-6-12)15(16,17)18/h2-9H,10H2,1H3.
What are the key properties of 1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
1-methyl-3-[[4-(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-3-[[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 129029518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).