1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene

C18H19F3 — CID 91119643

IUPAC1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2c(CF)cc(CF)cc2CF)c(C)c1
InChIInChI=1S/C18H19F3/c1-11-4-12(2)17(13(3)5-11)18-15(9-20)6-14(8-19)7-16(18)10-21/h4-7H,8-10H2,1-3H3
InChIKeyFBBZQFGOQSXXFX-UHFFFAOYSA-N
MW292.34 g/mol
LogP5.69
Rot. Bonds4

About 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene

1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene (PubChem CID 91119643) has the molecular formula C18H19F3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene
PubChem CID91119643
Molecular FormulaC18H19F3
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene
SMILESCc1cc(C)c(-c2c(CF)cc(CF)cc2CF)c(C)c1
InChIInChI=1S/C18H19F3/c1-11-4-12(2)17(13(3)5-11)18-15(9-20)6-14(8-19)7-16(18)10-21/h4-7H,8-10H2,1-3H3
InChIKeyFBBZQFGOQSXXFX-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.34
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,6-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665787
1,3,5-tris(fluoromethyl)-2-iodobenzene
CID 175869822
[5-(fluoromethyl)-2-methylphenyl]methanol
CID 84649942
4-[4-amino-2,6-bis(fluoromethyl)phenyl]-3,5-bis(fluoromethyl)aniline
CID 134226766
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
2-fluoro-1,3,5-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91665757
1-fluoro-3-(fluoromethyl)-2,5-dimethylbenzene
CID 131118392
1,2-difluoro-4-(fluoromethyl)-5-methylbenzene
CID 130909757
1-fluoro-2-(fluoromethyl)-4,5-dimethylbenzene
CID 118836013
2-(2,6-dimethylphenyl)-1,3,5-trimethyl-4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)phenyl]phenyl]benzene
CID 57209426
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
O-[2-[5-(fluoromethyl)-2-methylphenyl]ethyl]hydroxylamine
CID 117279515

Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene?
The IUPAC name of 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene (CID 91119643) is 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene.
What is the SMILES notation for 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene?
The canonical SMILES for 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene is Cc1cc(C)c(-c2c(CF)cc(CF)cc2CF)c(C)c1.
What is the InChIKey of 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene?
The InChIKey is FBBZQFGOQSXXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3/c1-11-4-12(2)17(13(3)5-11)18-15(9-20)6-14(8-19)7-16(18)10-21/h4-7H,8-10H2,1-3H3.
What are the key properties of 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene?
1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene has a molecular weight of 292.34 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(fluoromethyl)-2-(2,4,6-trimethylphenyl)benzene is sourced from PubChem (CID 91119643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).