nitro carbonofluoridate

CFNO4 — CID 149152003

IUPACnitro carbonofluoridate
SMILESO=C(F)O[N+](=O)[O-]
InChIInChI=1S/CFNO4/c2-1(4)7-3(5)6
InChIKeyUKMKILQLHSRSQM-UHFFFAOYSA-N
MW109.01 g/mol
LogP0.28
Rot. Bonds1

About nitro carbonofluoridate

nitro carbonofluoridate (PubChem CID 149152003) has the molecular formula CFNO4 and a molecular weight of 109.01 g/mol. Its IUPAC name is nitro carbonofluoridate.

Molecular Properties

Compound Namenitro carbonofluoridate
PubChem CID149152003
Molecular FormulaCFNO4
Molecular Weight109.01 g/mol
Exact Mass108.98
IUPAC Namenitro carbonofluoridate
SMILESO=C(F)O[N+](=O)[O-]
InChIInChI=1S/CFNO4/c2-1(4)7-3(5)6
InChIKeyUKMKILQLHSRSQM-UHFFFAOYSA-N
XLogP0.28
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.01
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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nitric acid;ruthenium;dinitrate
CID 173436166

Frequently Asked Questions

What is the IUPAC name of nitro carbonofluoridate?
The IUPAC name of nitro carbonofluoridate (CID 149152003) is nitro carbonofluoridate.
What is the SMILES notation for nitro carbonofluoridate?
The canonical SMILES for nitro carbonofluoridate is O=C(F)O[N+](=O)[O-].
What is the InChIKey of nitro carbonofluoridate?
The InChIKey is UKMKILQLHSRSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/CFNO4/c2-1(4)7-3(5)6.
What are the key properties of nitro carbonofluoridate?
nitro carbonofluoridate has a molecular weight of 109.01 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitro carbonofluoridate is sourced from PubChem (CID 149152003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).