nitromethyl hypofluorite

CH2FNO3 — CID 154094120

IUPACnitromethyl hypofluorite
SMILESO=[N+]([O-])COF
InChIInChI=1S/CH2FNO3/c2-6-1-3(4)5/h1H2
InChIKeyXOXYSSUJNFJXOS-UHFFFAOYSA-N
MW95.03 g/mol
LogP0.12
Rot. Bonds2

About nitromethyl hypofluorite

nitromethyl hypofluorite (PubChem CID 154094120) has the molecular formula CH2FNO3 and a molecular weight of 95.03 g/mol. Its IUPAC name is nitromethyl hypofluorite.

Molecular Properties

Compound Namenitromethyl hypofluorite
PubChem CID154094120
Molecular FormulaCH2FNO3
Molecular Weight95.03 g/mol
Exact Mass95.00
IUPAC Namenitromethyl hypofluorite
SMILESO=[N+]([O-])COF
InChIInChI=1S/CH2FNO3/c2-6-1-3(4)5/h1H2
InChIKeyXOXYSSUJNFJXOS-UHFFFAOYSA-N
XLogP0.12
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.03
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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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1-(nitromethoxy)butane
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methoxy-(nitromethoxy)-oxophosphanium
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CID 20695325
CID 20695325
1-nitro(113C)ethane
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nitro carbonofluoridate
CID 149152003
1-methylsulfonyl-2-(nitromethoxy)benzene
CID 90892555
nitroxyl anion;ruthenium;trinitrate
CID 75366843

Frequently Asked Questions

What is the IUPAC name of nitromethyl hypofluorite?
The IUPAC name of nitromethyl hypofluorite (CID 154094120) is nitromethyl hypofluorite.
What is the SMILES notation for nitromethyl hypofluorite?
The canonical SMILES for nitromethyl hypofluorite is O=[N+]([O-])COF.
What is the InChIKey of nitromethyl hypofluorite?
The InChIKey is XOXYSSUJNFJXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2FNO3/c2-6-1-3(4)5/h1H2.
What are the key properties of nitromethyl hypofluorite?
nitromethyl hypofluorite has a molecular weight of 95.03 g/mol, XLogP of 0.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nitromethyl hypofluorite is sourced from PubChem (CID 154094120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).