1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione

C6H7FN2O3S — CID 87069007

IUPAC1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione
SMILESCN1C(=O)CC(=O)N(CF)C1=S=O
InChIInChI=1S/C6H7FN2O3S/c1-8-4(10)2-5(11)9(3-7)6(8)13-12/h2-3H2,1H3
InChIKeyTZVIDEKYHRJIAO-UHFFFAOYSA-N
MW206.20 g/mol
LogP-1.10
Rot. Bonds1

About 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione

1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione (PubChem CID 87069007) has the molecular formula C6H7FN2O3S and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione
PubChem CID87069007
Molecular FormulaC6H7FN2O3S
Molecular Weight206.20 g/mol
Exact Mass206.02
IUPAC Name1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione
SMILESCN1C(=O)CC(=O)N(CF)C1=S=O
InChIInChI=1S/C6H7FN2O3S/c1-8-4(10)2-5(11)9(3-7)6(8)13-12/h2-3H2,1H3
InChIKeyTZVIDEKYHRJIAO-UHFFFAOYSA-N
XLogP-1.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione?
The IUPAC name of 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione (CID 87069007) is 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione.
What is the SMILES notation for 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione?
The canonical SMILES for 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione is CN1C(=O)CC(=O)N(CF)C1=S=O.
What is the InChIKey of 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione?
The InChIKey is TZVIDEKYHRJIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O3S/c1-8-4(10)2-5(11)9(3-7)6(8)13-12/h2-3H2,1H3.
What are the key properties of 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione?
1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione has a molecular weight of 206.20 g/mol, XLogP of -1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-3-methyl-2-sulfinyl-1,3-diazinane-4,6-dione is sourced from PubChem (CID 87069007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).