isocyanic acid;methane;hexahydrofluoride

C7H28F6N2O2 — CID 173057385

IUPACisocyanic acid;methane;hexahydrofluoride
SMILESC.C.C.C.C.F.F.F.F.F.F.N=C=O.N=C=O
InChIInChI=1S/2CHNO.5CH4.6FH/c2*2-1-3;;;;;;;;;;;/h2*2H;5*1H4;6*1H
InChIKeyIDHOUOXELIJPHK-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.90
Rot. Bonds

About isocyanic acid;methane;hexahydrofluoride

isocyanic acid;methane;hexahydrofluoride (PubChem CID 173057385) has the molecular formula C7H28F6N2O2 and a molecular weight of 286.30 g/mol. Its IUPAC name is isocyanic acid;methane;hexahydrofluoride.

Molecular Properties

Compound Nameisocyanic acid;methane;hexahydrofluoride
PubChem CID173057385
Molecular FormulaC7H28F6N2O2
Molecular Weight286.30 g/mol
Exact Mass286.21
IUPAC Nameisocyanic acid;methane;hexahydrofluoride
SMILESC.C.C.C.C.F.F.F.F.F.F.N=C=O.N=C=O
InChIInChI=1S/2CHNO.5CH4.6FH/c2*2-1-3;;;;;;;;;;;/h2*2H;5*1H4;6*1H
InChIKeyIDHOUOXELIJPHK-UHFFFAOYSA-N
XLogP3.90
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.90
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;hexahydrofluoride?
The IUPAC name of isocyanic acid;methane;hexahydrofluoride (CID 173057385) is isocyanic acid;methane;hexahydrofluoride.
What is the SMILES notation for isocyanic acid;methane;hexahydrofluoride?
The canonical SMILES for isocyanic acid;methane;hexahydrofluoride is C.C.C.C.C.F.F.F.F.F.F.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;methane;hexahydrofluoride?
The InChIKey is IDHOUOXELIJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHNO.5CH4.6FH/c2*2-1-3;;;;;;;;;;;/h2*2H;5*1H4;6*1H.
What are the key properties of isocyanic acid;methane;hexahydrofluoride?
isocyanic acid;methane;hexahydrofluoride has a molecular weight of 286.30 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;methane;hexahydrofluoride is sourced from PubChem (CID 173057385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).