ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

C10H14F3NO — CID 178099023

IUPACethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC.Cc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO.C2H6/c1-6-3-2-4-12(7(6)13)5-8(9,10)11;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyFWXOVWOGYVOBKS-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.75
Rot. Bonds1

About ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one

ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 178099023) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Nameethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID178099023
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Nameethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESCC.Cc1cccn(CC(F)(F)F)c1=O
InChIInChI=1S/C8H8F3NO.C2H6/c1-6-3-2-4-12(7(6)13)5-8(9,10)11;1-2/h2-4H,5H2,1H3;1-2H3
InChIKeyFWXOVWOGYVOBKS-UHFFFAOYSA-N
XLogP2.75
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 178099023) is ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is CC.Cc1cccn(CC(F)(F)F)c1=O.
What is the InChIKey of ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is FWXOVWOGYVOBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C2H6/c1-6-3-2-4-12(7(6)13)5-8(9,10)11;1-2/h2-4H,5H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one?
ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 221.22 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 178099023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).