3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one

C22H18F3NO2 — CID 20841537

IUPAC3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C(/C=C/c1ccccc1)(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,26,27)/b14-13+
InChIKeySRJQGWRGTNXGQP-BUHFOSPRSA-N
MW385.39 g/mol
LogP5.06
Rot. Bonds6

About 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one

3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one (PubChem CID 20841537) has the molecular formula C22H18F3NO2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one
PubChem CID20841537
Molecular FormulaC22H18F3NO2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C(/C=C/c1ccccc1)(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C22H18F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,26,27)/b14-13+
InChIKeySRJQGWRGTNXGQP-BUHFOSPRSA-N
XLogP5.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one (CID 20841537) is 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one is O=c1[nH]cccc1C(/C=C/c1ccccc1)(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one?
The InChIKey is SRJQGWRGTNXGQP-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H18F3NO2/c23-22(24,25)21(19-12-7-15-26-20(19)27,14-13-17-8-3-1-4-9-17)28-16-18-10-5-2-6-11-18/h1-15H,16H2,(H,26,27)/b14-13+.
What are the key properties of 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one?
3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one has a molecular weight of 385.39 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1,1,1-trifluoro-4-phenyl-2-phenylmethoxybut-3-en-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 20841537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).