3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione

C13H15FN2O2 — CID 2812855

IUPAC3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyJRQTVGCQFOLPJK-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.39
Rot. Bonds2

About 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione

3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione (PubChem CID 2812855) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
PubChem CID2812855
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione
SMILESCC(C)N1CCC(=O)N(c2ccc(F)cc2)C1=O
InChIInChI=1S/C13H15FN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3
InChIKeyJRQTVGCQFOLPJK-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 2812854
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932
3-(4-fluorophenyl)-1-phenyl-1,3-diazinane-2,4-dione
CID 60835786
1,3-bis(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 155023000
3-(4-chlorophenyl)-1-propan-2-ylimidazolidine-2,4-dione
CID 54923928
1,3-di(propan-2-yl)-1,3-diazinane-2,4-dione
CID 60644562
1-(4-fluorophenyl)-5-sulfanylidenepyrrolidin-2-one
CID 155676158
3-(4-fluorophenyl)-1,3-diazepane-2,4-dione
CID 80541122
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204262
3-ethyl-1-propan-2-yl-1,3-diazinane-2,4-dione
CID 60644815
3-(4-bromophenyl)-1-methyl-1,3-diazinane-2,4-dione
CID 23321830
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]pyrrolidine-2,5-dione
CID 917152

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione (CID 2812855) is 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione is CC(C)N1CCC(=O)N(c2ccc(F)cc2)C1=O.
What is the InChIKey of 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
The InChIKey is JRQTVGCQFOLPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-9(2)15-8-7-12(17)16(13(15)18)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione?
3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione has a molecular weight of 250.27 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-propan-2-yl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 2812855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).