5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene

C16H17F — CID 20683371

IUPAC5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
SMILESCc1ccc(-c2cc(C)c(C)c(C)c2)c(F)c1
InChIInChI=1S/C16H17F/c1-10-5-6-15(16(17)7-10)14-8-11(2)13(4)12(3)9-14/h5-9H,1-4H3
InChIKeyDLWFLBZYKBLKMT-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.73
Rot. Bonds1

About 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene

5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene (PubChem CID 20683371) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene.

Molecular Properties

Compound Name5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
PubChem CID20683371
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
SMILESCc1ccc(-c2cc(C)c(C)c(C)c2)c(F)c1
InChIInChI=1S/C16H17F/c1-10-5-6-15(16(17)7-10)14-8-11(2)13(4)12(3)9-14/h5-9H,1-4H3
InChIKeyDLWFLBZYKBLKMT-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene?
The IUPAC name of 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene (CID 20683371) is 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene.
What is the SMILES notation for 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene?
The canonical SMILES for 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene is Cc1ccc(-c2cc(C)c(C)c(C)c2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene?
The InChIKey is DLWFLBZYKBLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-10-5-6-15(16(17)7-10)14-8-11(2)13(4)12(3)9-14/h5-9H,1-4H3.
What are the key properties of 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene?
5-(2-fluoro-4-methylphenyl)-1,2,3-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 5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene is sourced from PubChem (CID 20683371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).