3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one

C16H12ClF6NO2 — CID 142452810

IUPAC3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(OC)C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C16H12ClF6NO2/c1-3-24-13(12-10(19)4-7(18)5-11(12)20)8(6-9(17)15(24)25)14(26-2)16(21,22)23/h4-6,14H,3H2,1-2H3
InChIKeyHHYPHMNBSUPNJJ-UHFFFAOYSA-N
MW399.72 g/mol
LogP4.86
Rot. Bonds4

About 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one

3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one (PubChem CID 142452810) has the molecular formula C16H12ClF6NO2 and a molecular weight of 399.72 g/mol. Its IUPAC name is 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
PubChem CID142452810
Molecular FormulaC16H12ClF6NO2
Molecular Weight399.72 g/mol
Exact Mass399.05
IUPAC Name3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one
SMILESCCn1c(-c2c(F)cc(F)cc2F)c(C(OC)C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C16H12ClF6NO2/c1-3-24-13(12-10(19)4-7(18)5-11(12)20)8(6-9(17)15(24)25)14(26-2)16(21,22)23/h4-6,14H,3H2,1-2H3
InChIKeyHHYPHMNBSUPNJJ-UHFFFAOYSA-N
XLogP4.86
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.72
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The IUPAC name of 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one (CID 142452810) is 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one.
What is the SMILES notation for 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The canonical SMILES for 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one is CCn1c(-c2c(F)cc(F)cc2F)c(C(OC)C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
The InChIKey is HHYPHMNBSUPNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF6NO2/c1-3-24-13(12-10(19)4-7(18)5-11(12)20)8(6-9(17)15(24)25)14(26-2)16(21,22)23/h4-6,14H,3H2,1-2H3.
What are the key properties of 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one?
3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one has a molecular weight of 399.72 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethyl-5-(2,2,2-trifluoro-1-methoxyethyl)-6-(2,4,6-trifluorophenyl)pyridin-2-one is sourced from PubChem (CID 142452810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).