1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one

C11H14F3NO — CID 91027664

IUPAC1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)(C)C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C11H14F3NO/c1-7-5-8(6-15(4)9(7)16)10(2,3)11(12,13)14/h5-6H,1-4H3
InChIKeyXZIDHNBYICCRIY-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.53
Rot. Bonds1

About 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one

1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one (PubChem CID 91027664) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one
PubChem CID91027664
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one
SMILESCc1cc(C(C)(C)C(F)(F)F)cn(C)c1=O
InChIInChI=1S/C11H14F3NO/c1-7-5-8(6-15(4)9(7)16)10(2,3)11(12,13)14/h5-6H,1-4H3
InChIKeyXZIDHNBYICCRIY-UHFFFAOYSA-N
XLogP2.53
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one (CID 91027664) is 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one is Cc1cc(C(C)(C)C(F)(F)F)cn(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one?
The InChIKey is XZIDHNBYICCRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-5-8(6-15(4)9(7)16)10(2,3)11(12,13)14/h5-6H,1-4H3.
What are the key properties of 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one?
1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one has a molecular weight of 233.23 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-2-one is sourced from PubChem (CID 91027664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).