(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride

C5H8F2N2 — CID 143915054

IUPAC(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride
SMILESC/C=C(N)\C(F)=N/CF
InChIInChI=1S/C5H8F2N2/c1-2-4(8)5(7)9-3-6/h2H,3,8H2,1H3/b4-2+,9-5+
InChIKeyGZXYKFFLTUQPAE-UDBWGUGXSA-N
MW134.13 g/mol
LogP1.14
Rot. Bonds2

About (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride

(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride (PubChem CID 143915054) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride.

Molecular Properties

Compound Name(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride
PubChem CID143915054
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride
SMILESC/C=C(N)\C(F)=N/CF
InChIInChI=1S/C5H8F2N2/c1-2-4(8)5(7)9-3-6/h2H,3,8H2,1H3/b4-2+,9-5+
InChIKeyGZXYKFFLTUQPAE-UDBWGUGXSA-N
XLogP1.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.14
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride?
The IUPAC name of (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride (CID 143915054) is (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride.
What is the SMILES notation for (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride?
The canonical SMILES for (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride is C/C=C(N)\C(F)=N/CF.
What is the InChIKey of (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride?
The InChIKey is GZXYKFFLTUQPAE-UDBWGUGXSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-2-4(8)5(7)9-3-6/h2H,3,8H2,1H3/b4-2+,9-5+.
What are the key properties of (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride?
(E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride has a molecular weight of 134.13 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1E)-2-amino-N-(fluoromethyl)but-2-enimidoyl fluoride is sourced from PubChem (CID 143915054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).