2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one

C11H14F3NO — CID 143235788

IUPAC2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
SMILESCC(C)=O.Cc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3N.C3H6O/c1-5-3-4-7(8(9,10)11)12-6(5)2;1-3(2)4/h3-4H,1-2H3;1-2H3
InChIKeyKKKSLAQUQZRFFN-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.31
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one

2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one (PubChem CID 143235788) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
PubChem CID143235788
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
SMILESCC(C)=O.Cc1ccc(C(F)(F)F)nc1C
InChIInChI=1S/C8H8F3N.C3H6O/c1-5-3-4-7(8(9,10)11)12-6(5)2;1-3(2)4/h3-4H,1-2H3;1-2H3
InChIKeyKKKSLAQUQZRFFN-UHFFFAOYSA-N
XLogP3.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one (CID 143235788) is 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one is CC(C)=O.Cc1ccc(C(F)(F)F)nc1C.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one?
The InChIKey is KKKSLAQUQZRFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N.C3H6O/c1-5-3-4-7(8(9,10)11)12-6(5)2;1-3(2)4/h3-4H,1-2H3;1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one?
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one has a molecular weight of 233.23 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one is sourced from PubChem (CID 143235788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).