isocyanic acid;hydrofluoride

C3H4FN3O3 — CID 175035145

IUPACisocyanic acid;hydrofluoride
SMILESF.N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.FH/c3*2-1-3;/h3*2H;1H
InChIKeyHPJBZAUGKBUARA-UHFFFAOYSA-N
MW149.08 g/mol
LogP-0.14
Rot. Bonds

About isocyanic acid;hydrofluoride

isocyanic acid;hydrofluoride (PubChem CID 175035145) has the molecular formula C3H4FN3O3 and a molecular weight of 149.08 g/mol. Its IUPAC name is isocyanic acid;hydrofluoride.

Molecular Properties

Compound Nameisocyanic acid;hydrofluoride
PubChem CID175035145
Molecular FormulaC3H4FN3O3
Molecular Weight149.08 g/mol
Exact Mass149.02
IUPAC Nameisocyanic acid;hydrofluoride
SMILESF.N=C=O.N=C=O.N=C=O
InChIInChI=1S/3CHNO.FH/c3*2-1-3;/h3*2H;1H
InChIKeyHPJBZAUGKBUARA-UHFFFAOYSA-N
XLogP-0.14
TPSA122.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.08
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze isocyanic acid;hydrofluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

isocyanic acid;methane;hexahydrofluoride
CID 173057385
isocyanic acid;sulfane
CID 161242825
CID 87228309
CID 87228309
isocyanic acid;hydrate
CID 19755102
isocyanic acid;hydroiodide
CID 88505610
isocyanic acid;trihydrochloride
CID 172863898
isocyanic acid;nickel
CID 88815088
isocyanic acid;zirconium
CID 173007129
isocyanic acid;hexahydrobromide
CID 172844137
isocyanic acid;methane
CID 173240059
hydrazine;isocyanic acid
CID 88746590
ethane;isocyanic acid;trihydrate
CID 174647363

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;hydrofluoride?
The IUPAC name of isocyanic acid;hydrofluoride (CID 175035145) is isocyanic acid;hydrofluoride.
What is the SMILES notation for isocyanic acid;hydrofluoride?
The canonical SMILES for isocyanic acid;hydrofluoride is F.N=C=O.N=C=O.N=C=O.
What is the InChIKey of isocyanic acid;hydrofluoride?
The InChIKey is HPJBZAUGKBUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNO.FH/c3*2-1-3;/h3*2H;1H.
What are the key properties of isocyanic acid;hydrofluoride?
isocyanic acid;hydrofluoride has a molecular weight of 149.08 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;hydrofluoride is sourced from PubChem (CID 175035145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).