2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene

C16H15F3 — CID 91426393

IUPAC2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)ccc1CCc1ccccc1
InChIInChI=1S/C16H15F3/c1-12-11-15(16(17,18)19)10-9-14(12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyAYPVDLDEXJKUTL-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.80
Rot. Bonds3

About 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene

2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene (PubChem CID 91426393) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
PubChem CID91426393
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene
SMILESCc1cc(C(F)(F)F)ccc1CCc1ccccc1
InChIInChI=1S/C16H15F3/c1-12-11-15(16(17,18)19)10-9-14(12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3
InChIKeyAYPVDLDEXJKUTL-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[2-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)benzene
CID 123542451
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
3-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-1-one
CID 102755961
2-methyl-4-(2-phenylbuta-2,3-dienyl)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 169204488
1-(3-bromopentyl)-2-methyl-4-(trifluoromethyl)benzene
CID 102756185
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-phenylpropan-2-ol
CID 102751228
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-bromo-2-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 86225102
1,2-dimethyl-4-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-5-(trifluoromethyl)benzene
CID 143655992
[1-[2-methyl-4-(trifluoromethyl)phenyl]-2-phenylethyl]hydrazine
CID 102759408
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene (CID 91426393) is 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene is Cc1cc(C(F)(F)F)ccc1CCc1ccccc1.
What is the InChIKey of 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene?
The InChIKey is AYPVDLDEXJKUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-12-11-15(16(17,18)19)10-9-14(12)8-7-13-5-3-2-4-6-13/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene?
2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene has a molecular weight of 264.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-phenylethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 91426393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).