fluoromethane;isocyanic acid

C2H4FNO — CID 174867552

IUPACfluoromethane;isocyanic acid
SMILESCF.N=C=O
InChIInChI=1S/CH3F.CHNO/c1-2;2-1-3/h1H3;2H
InChIKeyHWKSKLZZPBBEEN-UHFFFAOYSA-N
MW77.06 g/mol
LogP0.49
Rot. Bonds

About fluoromethane;isocyanic acid

fluoromethane;isocyanic acid (PubChem CID 174867552) has the molecular formula C2H4FNO and a molecular weight of 77.06 g/mol. Its IUPAC name is fluoromethane;isocyanic acid.

Molecular Properties

Compound Namefluoromethane;isocyanic acid
PubChem CID174867552
Molecular FormulaC2H4FNO
Molecular Weight77.06 g/mol
Exact Mass77.03
IUPAC Namefluoromethane;isocyanic acid
SMILESCF.N=C=O
InChIInChI=1S/CH3F.CHNO/c1-2;2-1-3/h1H3;2H
InChIKeyHWKSKLZZPBBEEN-UHFFFAOYSA-N
XLogP0.49
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.06
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;isocyanic acid;trihydrate
CID 174647363
2-fluoropropane;isocyanic acid
CID 175283113
isocyanic acid;hydrofluoride
CID 175035145
isocyanic acid;hydroiodide
CID 88505610
CID 87228309
CID 87228309
isocyanic acid;hydrate
CID 19755102
isocyanic acid;sulfane
CID 161242825
isocyanic acid;trihydrochloride
CID 172863898
isocyanic acid;zirconium
CID 173007129
isocyanic acid;nickel
CID 88815088
isocyanic acid;lanthanum
CID 160896504
isocyanic acid;hexahydrobromide
CID 172844137

Frequently Asked Questions

What is the IUPAC name of fluoromethane;isocyanic acid?
The IUPAC name of fluoromethane;isocyanic acid (CID 174867552) is fluoromethane;isocyanic acid.
What is the SMILES notation for fluoromethane;isocyanic acid?
The canonical SMILES for fluoromethane;isocyanic acid is CF.N=C=O.
What is the InChIKey of fluoromethane;isocyanic acid?
The InChIKey is HWKSKLZZPBBEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3F.CHNO/c1-2;2-1-3/h1H3;2H.
What are the key properties of fluoromethane;isocyanic acid?
fluoromethane;isocyanic acid has a molecular weight of 77.06 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;isocyanic acid is sourced from PubChem (CID 174867552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).