3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine

C20H24F3N — CID 146286861

IUPAC3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine
SMILESCCc1cc(-c2c(C(F)(F)F)ccnc2C)ccc1CC(C)CC
InChIInChI=1S/C20H24F3N/c1-5-13(3)11-16-7-8-17(12-15(16)6-2)19-14(4)24-10-9-18(19)20(21,22)23/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyMNYHBMRGJKFIHB-UHFFFAOYSA-N
MW335.41 g/mol
LogP6.23
Rot. Bonds5

About 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine

3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine (PubChem CID 146286861) has the molecular formula C20H24F3N and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine
PubChem CID146286861
Molecular FormulaC20H24F3N
Molecular Weight335.41 g/mol
Exact Mass335.19
IUPAC Name3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine
SMILESCCc1cc(-c2c(C(F)(F)F)ccnc2C)ccc1CC(C)CC
InChIInChI=1S/C20H24F3N/c1-5-13(3)11-16-7-8-17(12-15(16)6-2)19-14(4)24-10-9-18(19)20(21,22)23/h7-10,12-13H,5-6,11H2,1-4H3
InChIKeyMNYHBMRGJKFIHB-UHFFFAOYSA-N
XLogP6.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine (CID 146286861) is 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine is CCc1cc(-c2c(C(F)(F)F)ccnc2C)ccc1CC(C)CC.
What is the InChIKey of 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine?
The InChIKey is MNYHBMRGJKFIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N/c1-5-13(3)11-16-7-8-17(12-15(16)6-2)19-14(4)24-10-9-18(19)20(21,22)23/h7-10,12-13H,5-6,11H2,1-4H3.
What are the key properties of 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine?
3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine has a molecular weight of 335.41 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-4-(2-methylbutyl)phenyl]-2-methyl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 146286861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).