2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene

C16H17F — CID 91665782

IUPAC2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C16H17F/c1-10-7-12(3)16(13(4)8-10)15-9-14(17)6-5-11(15)2/h5-9H,1-4H3
InChIKeyZDOZZHNETSYDFM-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.73
Rot. Bonds1

About 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene

2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene (PubChem CID 91665782) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
PubChem CID91665782
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
SMILESCc1cc(C)c(-c2cc(F)ccc2C)c(C)c1
InChIInChI=1S/C16H17F/c1-10-7-12(3)16(13(4)8-10)15-9-14(17)6-5-11(15)2/h5-9H,1-4H3
InChIKeyZDOZZHNETSYDFM-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
4-fluoro-2-(2-methoxy-4,6-dimethylphenyl)benzoic acid
CID 106681044
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
2-(2,5-dimethylphenyl)-5-(3,5-dimethylphenyl)-1,3-dimethylbenzene
CID 91389768
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
CID 107627301
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
2,6-bis(2,4,6-trimethylphenyl)benzenethiolate;ruthenium(1+);tris(4-fluorophenyl)phosphanium
CID 177429030
1-bromo-5-fluoro-2-methoxy-3-(2,4,6-trimethylphenyl)benzene
CID 146667361
5-(5-fluoro-2-methoxyphenyl)-4-methoxy-2-(2-methoxy-4,6-dimethylphenyl)-6-methylpyrimidine
CID 10271246

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene?
The IUPAC name of 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene (CID 91665782) is 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene?
The canonical SMILES for 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene is Cc1cc(C)c(-c2cc(F)ccc2C)c(C)c1.
What is the InChIKey of 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene?
The InChIKey is ZDOZZHNETSYDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-10-7-12(3)16(13(4)8-10)15-9-14(17)6-5-11(15)2/h5-9H,1-4H3.
What are the key properties of 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene?
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene has a molecular weight of 228.31 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene is sourced from PubChem (CID 91665782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).