ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one

C11H16F3NO — CID 156638572

IUPACethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCC.Cc1c(C(F)(F)F)cc(=O)n(C)c1C
InChIInChI=1S/C9H10F3NO.C2H6/c1-5-6(2)13(3)8(14)4-7(5)9(10,11)12;1-2/h4H,1-3H3;1-2H3
InChIKeyPHCIPBFKVQUAII-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.05
Rot. Bonds

About ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one

ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one (PubChem CID 156638572) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
PubChem CID156638572
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Nameethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one
SMILESCC.Cc1c(C(F)(F)F)cc(=O)n(C)c1C
InChIInChI=1S/C9H10F3NO.C2H6/c1-5-6(2)13(3)8(14)4-7(5)9(10,11)12;1-2/h4H,1-3H3;1-2H3
InChIKeyPHCIPBFKVQUAII-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one (CID 156638572) is ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one is CC.Cc1c(C(F)(F)F)cc(=O)n(C)c1C.
What is the InChIKey of ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is PHCIPBFKVQUAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO.C2H6/c1-5-6(2)13(3)8(14)4-7(5)9(10,11)12;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one?
ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 235.25 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,6-trimethyl-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 156638572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).