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

C16H13F3 — CID 101368482

IUPAC1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESC=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3/c1-11-3-5-13(6-4-11)12(2)14-7-9-15(10-8-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyATECGWWVXPFPID-UHFFFAOYSA-N
MW262.27 g/mol
LogP5.08
Rot. Bonds2

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

1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene (PubChem CID 101368482) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
PubChem CID101368482
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
SMILESC=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3/c1-11-3-5-13(6-4-11)12(2)14-7-9-15(10-8-14)16(17,18)19/h3-10H,2H2,1H3
InChIKeyATECGWWVXPFPID-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
1,4-bis[1-(4-methylphenyl)ethenyl]benzene;ethane
CID 123373957
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1,3-bis(trifluoromethyl)-5-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 87996526
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
CID 164997994
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]prop-2-enylsulfonyl]benzene
CID 138971767
2-[2,3-bis[cyano-[4-(trifluoromethyl)phenyl]methylidene]cyclopropylidene]-2-(4-methylphenyl)acetonitrile
CID 174092533
ethane;(3Z)-2-fluoro-5-methylhexa-1,3,5-triene;1-methyl-4-(trifluoromethyl)benzene
CID 143383133
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The IUPAC name of 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene (CID 101368482) is 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene.
What is the SMILES notation for 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The canonical SMILES for 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene is C=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
The InChIKey is ATECGWWVXPFPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3/c1-11-3-5-13(6-4-11)12(2)14-7-9-15(10-8-14)16(17,18)19/h3-10H,2H2,1H3.
What are the key properties of 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene?
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene has a molecular weight of 262.27 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene is sourced from PubChem (CID 101368482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).