methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine

C4H7F9N2O3 — CID 90764111

IUPACmethoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine
SMILESCOCOC(=O)NN=CF.FF.FF.FF.FF
InChIInChI=1S/C4H7FN2O3.4F2/c1-9-3-10-4(8)7-6-2-5;4*1-2/h2H,3H2,1H3,(H,7,8);;;;
InChIKeyYQDVWMATKWWOEN-UHFFFAOYSA-N
MW302.09 g/mol
LogP3.59
Rot. Bonds3

About methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine

methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine (PubChem CID 90764111) has the molecular formula C4H7F9N2O3 and a molecular weight of 302.09 g/mol. Its IUPAC name is methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine.

Molecular Properties

Compound Namemethoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine
PubChem CID90764111
Molecular FormulaC4H7F9N2O3
Molecular Weight302.09 g/mol
Exact Mass302.03
IUPAC Namemethoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine
SMILESCOCOC(=O)NN=CF.FF.FF.FF.FF
InChIInChI=1S/C4H7FN2O3.4F2/c1-9-3-10-4(8)7-6-2-5;4*1-2/h2H,3H2,1H3,(H,7,8);;;;
InChIKeyYQDVWMATKWWOEN-UHFFFAOYSA-N
XLogP3.59
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine?
The IUPAC name of methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine (CID 90764111) is methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine.
What is the SMILES notation for methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine?
The canonical SMILES for methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine is COCOC(=O)NN=CF.FF.FF.FF.FF.
What is the InChIKey of methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine?
The InChIKey is YQDVWMATKWWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FN2O3.4F2/c1-9-3-10-4(8)7-6-2-5;4*1-2/h2H,3H2,1H3,(H,7,8);;;;.
What are the key properties of methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine?
methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine has a molecular weight of 302.09 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl N-(fluoromethylideneamino)carbamate;molecular fluorine is sourced from PubChem (CID 90764111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).