isocyanic acid;methane;hydrofluoride

C5H15FN2O2 — CID 173055719

IUPACisocyanic acid;methane;hydrofluoride
SMILESC.C.C.F.N=C=O.N=C=O
InChIInChI=1S/2CHNO.3CH4.FH/c2*2-1-3;;;;/h2*2H;3*1H4;1H
InChIKeyXEWVNCHFJBUFHQ-UHFFFAOYSA-N
MW154.18 g/mol
LogP1.86
Rot. Bonds

About isocyanic acid;methane;hydrofluoride

isocyanic acid;methane;hydrofluoride (PubChem CID 173055719) has the molecular formula C5H15FN2O2 and a molecular weight of 154.18 g/mol. Its IUPAC name is isocyanic acid;methane;hydrofluoride.

Molecular Properties

Compound Nameisocyanic acid;methane;hydrofluoride
PubChem CID173055719
Molecular FormulaC5H15FN2O2
Molecular Weight154.18 g/mol
Exact Mass154.11
IUPAC Nameisocyanic acid;methane;hydrofluoride
SMILESC.C.C.F.N=C=O.N=C=O
InChIInChI=1S/2CHNO.3CH4.FH/c2*2-1-3;;;;/h2*2H;3*1H4;1H
InChIKeyXEWVNCHFJBUFHQ-UHFFFAOYSA-N
XLogP1.86
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of isocyanic acid;methane;hydrofluoride?
The IUPAC name of isocyanic acid;methane;hydrofluoride (CID 173055719) is isocyanic acid;methane;hydrofluoride.
What is the SMILES notation for isocyanic acid;methane;hydrofluoride?
The canonical SMILES for isocyanic acid;methane;hydrofluoride is C.C.C.F.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;methane;hydrofluoride?
The InChIKey is XEWVNCHFJBUFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.3CH4.FH/c2*2-1-3;;;;/h2*2H;3*1H4;1H.
What are the key properties of isocyanic acid;methane;hydrofluoride?
isocyanic acid;methane;hydrofluoride has a molecular weight of 154.18 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methane;hydrofluoride is sourced from PubChem (CID 173055719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).