6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one

C18H14F4N2O3 — CID 4247070

IUPAC6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccccc2F)C(C(=O)C(F)(F)F)C(O)(c2ccccc2)N1
InChIInChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26)
InChIKeyYGCFZXCKJVSFPF-UHFFFAOYSA-N
MW382.31 g/mol
LogP2.77
Rot. Bonds3

About 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one

6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one (PubChem CID 4247070) has the molecular formula C18H14F4N2O3 and a molecular weight of 382.31 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
PubChem CID4247070
Molecular FormulaC18H14F4N2O3
Molecular Weight382.31 g/mol
Exact Mass382.09
IUPAC Name6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one
SMILESO=C1NC(c2ccccc2F)C(C(=O)C(F)(F)F)C(O)(c2ccccc2)N1
InChIInChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26)
InChIKeyYGCFZXCKJVSFPF-UHFFFAOYSA-N
XLogP2.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-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

Related Compounds

(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 10601065
5-acetyl-6-(3-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3244931
5-acetyl-6-(4-fluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3245463
5-acetyl-6-(3,4-difluorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 3239347
5-benzoyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 2910920
6-(4-tert-butylphenyl)-5-(4-fluorobenzoyl)-4-hydroxy-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 4210475
5-Acetyl-4-hydroxy-6-(3-methylphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 3311657
5-acetyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
CID 4345927
5-Acetyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 4604253
5-benzoyl-4-hydroxy-6-phenyl-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone
CID 5186089
Methyl 4-[5-(4-fluorobenzoyl)-6-hydroxy-2-oxo-6-(trifluoromethyl)-1,3-diazinan-4-yl]benzoate
CID 4328609
6-(2-Fluorophenyl)-4-hydroxy-5-(4-methylbenzoyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
CID 5192449

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The IUPAC name of 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one (CID 4247070) is 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one.
What is the SMILES notation for 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The canonical SMILES for 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one is O=C1NC(c2ccccc2F)C(C(=O)C(F)(F)F)C(O)(c2ccccc2)N1.
What is the InChIKey of 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
The InChIKey is YGCFZXCKJVSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O3/c19-12-9-5-4-8-11(12)14-13(15(25)18(20,21)22)17(27,24-16(26)23-14)10-6-2-1-3-7-10/h1-9,13-14,27H,(H2,23,24,26).
What are the key properties of 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one?
6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one has a molecular weight of 382.31 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-4-hydroxy-4-phenyl-5-(2,2,2-trifluoroacetyl)-1,3-diazinan-2-one is sourced from PubChem (CID 4247070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).