1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one

C10H10ClFN2O — CID 115371068

IUPAC1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFN2O/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)
InChIKeyHYTPJUBYZUNGGK-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.40
Rot. Bonds1

About 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one

1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one (PubChem CID 115371068) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
PubChem CID115371068
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one
SMILESO=C1NCCCN1c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H10ClFN2O/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)
InChIKeyHYTPJUBYZUNGGK-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-difluorophenyl)-1,3-diazinan-2-one
CID 115370833
1-(4-chloro-3-methoxyphenyl)-1,3-diazinan-2-one
CID 107623725
1-(4-ethoxy-3-fluorophenyl)-1,3-diazinan-2-one
CID 113399851
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
CID 115370915
4-(2-oxo-1,3-diazinan-1-yl)-2-(2,4,5-trichlorophenyl)benzenesulfonic acid
CID 89251693
4-(4-chloro-3-fluorophenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64964846
3-(4-chloro-3-fluorophenyl)imidazolidine-2,4-dione
CID 107089494
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-2-one
CID 115370868
1-(4-piperazin-1-ylphenyl)-1,3-diazinan-2-one
CID 82514207
1-(3-fluoro-4-piperazin-1-ylphenyl)imidazolidin-2-one
CID 20785321
1-[4-(bromomethyl)phenyl]-1,3-diazinan-2-one
CID 153379314

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one (CID 115371068) is 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one is O=C1NCCCN1c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one?
The InChIKey is HYTPJUBYZUNGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/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-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one?
1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one has a molecular weight of 228.65 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-1,3-diazinan-2-one is sourced from PubChem (CID 115371068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).