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

C16H15F3 — CID 20686233

IUPAC1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17,18)19/h2-5,8-11H,6-7H2,1H3
InChIKeyNOLTYBGTOHXJHV-UHFFFAOYSA-N
MW264.29 g/mol
LogP4.80
Rot. Bonds3

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

1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene (PubChem CID 20686233) has the molecular formula C16H15F3 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
PubChem CID20686233
Molecular FormulaC16H15F3
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
SMILESCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17,18)19/h2-5,8-11H,6-7H2,1H3
InChIKeyNOLTYBGTOHXJHV-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-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
N-methyl-1-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 570902
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[[4-(trifluoromethyl)phenyl]sulfonylmethyl]benzene
CID 177388771
1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-methyl-4-[1,1,3-tris(4-methylphenyl)propyl]benzene
CID 59427035
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-[3-(4-methylphenyl)propyl]-3-[4-(trifluoromethyl)phenyl]thiourea
CID 100611927
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene (CID 20686233) is 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene is Cc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
The InChIKey is NOLTYBGTOHXJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3/c1-12-2-4-13(5-3-12)6-7-14-8-10-15(11-9-14)16(17,18)19/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene?
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]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 1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene is sourced from PubChem (CID 20686233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).