4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one

C14H12F3NO2 — CID 115614090

IUPAC4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
SMILESCc1ccn(Cc2ccc(OC(F)(F)F)cc2)c(=O)c1
InChIInChI=1S/C14H12F3NO2/c1-10-6-7-18(13(19)8-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-8H,9H2,1H3
InChIKeyDYFLRSMDXXKNNR-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.10
Rot. Bonds3

About 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one

4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one (PubChem CID 115614090) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
PubChem CID115614090
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one
SMILESCc1ccn(Cc2ccc(OC(F)(F)F)cc2)c(=O)c1
InChIInChI=1S/C14H12F3NO2/c1-10-6-7-18(13(19)8-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-8H,9H2,1H3
InChIKeyDYFLRSMDXXKNNR-UHFFFAOYSA-N
XLogP3.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one (CID 115614090) is 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one.
What is the SMILES notation for 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one is Cc1ccn(Cc2ccc(OC(F)(F)F)cc2)c(=O)c1.
What is the InChIKey of 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
The InChIKey is DYFLRSMDXXKNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-10-6-7-18(13(19)8-10)9-11-2-4-12(5-3-11)20-14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one?
4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one has a molecular weight of 283.25 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-2-one is sourced from PubChem (CID 115614090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).