1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene

C24H24F6 — CID 161222024

IUPAC1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/2C8H7F3.C8H10/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(2)6-4-7/h2*2-5H,1H3;3-6H,1-2H3
InChIKeyUXQHGHJWVUUCAU-UHFFFAOYSA-N
MW426.44 g/mol
LogP8.33
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene

1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene (PubChem CID 161222024) has the molecular formula C24H24F6 and a molecular weight of 426.44 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
PubChem CID161222024
Molecular FormulaC24H24F6
Molecular Weight426.44 g/mol
Exact Mass426.18
IUPAC Name1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/2C8H7F3.C8H10/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(2)6-4-7/h2*2-5H,1H3;3-6H,1-2H3
InChIKeyUXQHGHJWVUUCAU-UHFFFAOYSA-N
XLogP8.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3,5-bis(trifluoromethyl)benzene;2-methyl-1,3-bis(trifluoromethyl)benzene;1-methyl-2,3,4,5,6-pentakis(trifluoromethyl)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-1,3,5-tris(trifluoromethyl)benzene
CID 159640665
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1,2-dimethyl-3-(trifluoromethyl)benzene;1,4-dimethyl-2-(trifluoromethyl)benzene;ethane
CID 165397677
1,5-difluoro-2,3-dimethylbenzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,3,5-tetrafluoro-4,6-dimethylbenzene;2,3,6-trifluoro-4,5-dimethylphenol;tris((2,3,5-trifluoro-4,6-dimethylphenyl)methanol)
CID 159782692
1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
tert-butylbenzene;4-tert-butyl-1-chloro-2-methylbenzene;1-tert-butyl-4-methylbenzene;1-tert-butyl-3-(trifluoromethyl)benzene
CID 164960189
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
1-methyl-3-(trifluoromethyl)-5-[[2-(trifluoromethyl)phenyl]methyl]benzene
CID 162581958

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene?
The IUPAC name of 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene (CID 161222024) is 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene is Cc1ccc(C)cc1.Cc1cccc(C(F)(F)F)c1.Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene?
The InChIKey is UXQHGHJWVUUCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7F3.C8H10/c1-6-3-2-4-7(5-6)8(9,10)11;1-6-4-2-3-5-7(6)8(9,10)11;1-7-3-5-8(2)6-4-7/h2*2-5H,1H3;3-6H,1-2H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene?
1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene has a molecular weight of 426.44 g/mol, XLogP of 8.33, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1,4-xylene is sourced from PubChem (CID 161222024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).