diazinane;methyl hypofluorite

C5H13FN2O — CID 178086528

IUPACdiazinane;methyl hypofluorite
SMILESC1CCNNC1.COF
InChIInChI=1S/C4H10N2.CH3FO/c1-2-4-6-5-3-1;1-3-2/h5-6H,1-4H2;1H3
InChIKeyROWCNHBTNWMFNN-UHFFFAOYSA-N
MW136.17 g/mol
LogP0.39
Rot. Bonds

About diazinane;methyl hypofluorite

diazinane;methyl hypofluorite (PubChem CID 178086528) has the molecular formula C5H13FN2O and a molecular weight of 136.17 g/mol. Its IUPAC name is diazinane;methyl hypofluorite.

Molecular Properties

Compound Namediazinane;methyl hypofluorite
PubChem CID178086528
Molecular FormulaC5H13FN2O
Molecular Weight136.17 g/mol
Exact Mass136.10
IUPAC Namediazinane;methyl hypofluorite
SMILESC1CCNNC1.COF
InChIInChI=1S/C4H10N2.CH3FO/c1-2-4-6-5-3-1;1-3-2/h5-6H,1-4H2;1H3
InChIKeyROWCNHBTNWMFNN-UHFFFAOYSA-N
XLogP0.39
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of diazinane;methyl hypofluorite?
The IUPAC name of diazinane;methyl hypofluorite (CID 178086528) is diazinane;methyl hypofluorite.
What is the SMILES notation for diazinane;methyl hypofluorite?
The canonical SMILES for diazinane;methyl hypofluorite is C1CCNNC1.COF.
What is the InChIKey of diazinane;methyl hypofluorite?
The InChIKey is ROWCNHBTNWMFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2.CH3FO/c1-2-4-6-5-3-1;1-3-2/h5-6H,1-4H2;1H3.
What are the key properties of diazinane;methyl hypofluorite?
diazinane;methyl hypofluorite has a molecular weight of 136.17 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diazinane;methyl hypofluorite is sourced from PubChem (CID 178086528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).