5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene

C16H14F4 — CID 170027583

IUPAC5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(-c2c(C)cccc2C)cc(C(F)(F)F)c1F
InChIInChI=1S/C16H14F4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(17)13(8-12)16(18,19)20/h4-8H,1-3H3
InChIKeyDAPDACIYWFWRNB-UHFFFAOYSA-N
MW282.28 g/mol
LogP5.44
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene

5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene (PubChem CID 170027583) has the molecular formula C16H14F4 and a molecular weight of 282.28 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
PubChem CID170027583
Molecular FormulaC16H14F4
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene
SMILESCc1cc(-c2c(C)cccc2C)cc(C(F)(F)F)c1F
InChIInChI=1S/C16H14F4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(17)13(8-12)16(18,19)20/h4-8H,1-3H3
InChIKeyDAPDACIYWFWRNB-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.28
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene?
The IUPAC name of 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene (CID 170027583) is 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene is Cc1cc(-c2c(C)cccc2C)cc(C(F)(F)F)c1F.
What is the InChIKey of 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene?
The InChIKey is DAPDACIYWFWRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4/c1-9-5-4-6-10(2)14(9)12-7-11(3)15(17)13(8-12)16(18,19)20/h4-8H,1-3H3.
What are the key properties of 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene?
5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene has a molecular weight of 282.28 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-2-fluoro-1-methyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 170027583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).