1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride

C6H13FN2O — CID 91927152

IUPAC1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride
SMILESCN1CCCN(C)C1=O.F
InChIInChI=1S/C6H12N2O.FH/c1-7-4-3-5-8(2)6(7)9;/h3-5H2,1-2H3;1H
InChIKeyVJFSGFXCWXVXOD-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.53
Rot. Bonds

About 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride

1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride (PubChem CID 91927152) has the molecular formula C6H13FN2O and a molecular weight of 148.18 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride
PubChem CID91927152
Molecular FormulaC6H13FN2O
Molecular Weight148.18 g/mol
Exact Mass148.10
IUPAC Name1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride
SMILESCN1CCCN(C)C1=O.F
InChIInChI=1S/C6H12N2O.FH/c1-7-4-3-5-8(2)6(7)9;/h3-5H2,1-2H3;1H
InChIKeyVJFSGFXCWXVXOD-UHFFFAOYSA-N
XLogP0.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride?
The IUPAC name of 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride (CID 91927152) is 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride.
What is the SMILES notation for 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride?
The canonical SMILES for 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride is CN1CCCN(C)C1=O.F.
What is the InChIKey of 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride?
The InChIKey is VJFSGFXCWXVXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.FH/c1-7-4-3-5-8(2)6(7)9;/h3-5H2,1-2H3;1H.
What are the key properties of 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride?
1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride has a molecular weight of 148.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazinan-2-one;hydrofluoride is sourced from PubChem (CID 91927152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).