1-(3,4-difluorophenyl)-1,3-diazinan-2-one

C10H10F2N2O — CID 115370833

IUPAC1-(3,4-difluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O/c11-8-3-2-7(6-9(8)12)14-5-1-4-13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15)
InChIKeyNFOODXMMHPGTJD-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.88
Rot. Bonds1

About 1-(3,4-difluorophenyl)-1,3-diazinan-2-one

1-(3,4-difluorophenyl)-1,3-diazinan-2-one (PubChem CID 115370833) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-1,3-diazinan-2-one
PubChem CID115370833
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(3,4-difluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(F)c(F)c1
InChIInChI=1S/C10H10F2N2O/c11-8-3-2-7(6-9(8)12)14-5-1-4-13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15)
InChIKeyNFOODXMMHPGTJD-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,4-difluorophenyl)-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

Fenuron
CID 7560
4-(N-Propionylaniline)piperidine
CID 259381
1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
N-Methyl-N',N'-diphenylurea
CID 25711
1-(2-Fluorophenyl)piperazine
CID 70529
4-Fluorophenylurea
CID 12612
Urea, N-(1-methylethyl)-N'-phenyl-
CID 29852
1-(3-Fluorophenyl)piperazine
CID 77418
1-Methyl-3-phenylurea
CID 13880
1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
1-(4-Fluorophenyl)piperazine
CID 75260
N-Cyclopentyl-N'-phenylurea
CID 25740

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-1,3-diazinan-2-one (CID 115370833) is 1-(3,4-difluorophenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-1,3-diazinan-2-one?
The InChIKey is NFOODXMMHPGTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-8-3-2-7(6-9(8)12)14-5-1-4-13-10(14)15/h2-3,6H,1,4-5H2,(H,13,15).
What are the key properties of 1-(3,4-difluorophenyl)-1,3-diazinan-2-one?
1-(3,4-difluorophenyl)-1,3-diazinan-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115370833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).