N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride

C3H3F3N2 — CID 89081346

IUPACN-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride
SMILESFC=NC(F)N=CF
InChIInChI=1S/C3H3F3N2/c4-1-7-3(6)8-2-5/h1-3H
InChIKeyXGFJOCKZRLUSGL-UHFFFAOYSA-N
MW124.06 g/mol
LogP1.24
Rot. Bonds2

About N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride

N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride (PubChem CID 89081346) has the molecular formula C3H3F3N2 and a molecular weight of 124.06 g/mol. Its IUPAC name is N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride
PubChem CID89081346
Molecular FormulaC3H3F3N2
Molecular Weight124.06 g/mol
Exact Mass124.02
IUPAC NameN-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride
SMILESFC=NC(F)N=CF
InChIInChI=1S/C3H3F3N2/c4-1-7-3(6)8-2-5/h1-3H
InChIKeyXGFJOCKZRLUSGL-UHFFFAOYSA-N
XLogP1.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.06
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-hydroxymethanimidoyl fluoride
CID 101117108
N-ethylmethanimidoyl fluoride
CID 145275129
dimethylphosphoryl(fluoro)methanesulfinate;rhenium
CID 59908256
copper;fluoroform
CID 87139424
fluoroform;zinc
CID 160750436
CID 172813216
CID 172813216
fluoroform;pentahydrofluoride
CID 173242263
fluoroform;manganese(2+)
CID 162541967
fluoroform;hydroiodide
CID 87214980
CID 91467526
CID 91467526
2-bis[carboxy(fluoro)methyl]boranyl-2-fluoroacetic acid
CID 57317427
(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
CID 156819096

Frequently Asked Questions

What is the IUPAC name of N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride?
The IUPAC name of N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride (CID 89081346) is N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride.
What is the SMILES notation for N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride?
The canonical SMILES for N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride is FC=NC(F)N=CF.
What is the InChIKey of N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride?
The InChIKey is XGFJOCKZRLUSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3N2/c4-1-7-3(6)8-2-5/h1-3H.
What are the key properties of N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride?
N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride has a molecular weight of 124.06 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro-(fluoromethylideneamino)methyl]methanimidoyl fluoride is sourced from PubChem (CID 89081346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).