6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one

C9H17FN2O — CID 170016097

IUPAC6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1NC(=O)C(C)C(C)(F)N1
InChIInChI=1S/C9H17FN2O/c1-5(2)7-11-8(13)6(3)9(4,10)12-7/h5-7,12H,1-4H3,(H,11,13)
InChIKeyYSLWGRXRJIFHMJ-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.01
Rot. Bonds1

About 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one

6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one (PubChem CID 170016097) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one
PubChem CID170016097
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one
SMILESCC(C)C1NC(=O)C(C)C(C)(F)N1
InChIInChI=1S/C9H17FN2O/c1-5(2)7-11-8(13)6(3)9(4,10)12-7/h5-7,12H,1-4H3,(H,11,13)
InChIKeyYSLWGRXRJIFHMJ-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 102149559
(5S)-2,2-dimethyl-5-propan-2-ylimidazolidin-4-one
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CID 177434045
3,3,5-trimethylpyrrolidine-2,4-dione
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1-(2-fluorophenyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
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(5S)-3,3-difluoro-5-propan-2-ylpyrrolidin-2-one
CID 167119865
4-ethyl-3,3-difluoro-5-methylpyrrolidin-2-one
CID 177014092
1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 83040418
2-methyl-5-propan-2-ylimidazolidin-4-one
CID 55287744
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one?
The IUPAC name of 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one (CID 170016097) is 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one.
What is the SMILES notation for 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one?
The canonical SMILES for 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one is CC(C)C1NC(=O)C(C)C(C)(F)N1.
What is the InChIKey of 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one?
The InChIKey is YSLWGRXRJIFHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-5(2)7-11-8(13)6(3)9(4,10)12-7/h5-7,12H,1-4H3,(H,11,13).
What are the key properties of 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one?
6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one has a molecular weight of 188.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,6-dimethyl-2-propan-2-yl-1,3-diazinan-4-one is sourced from PubChem (CID 170016097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).