N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine

C5H9FN2 — CID 154967870

IUPACN-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C(F)/C(C)=N/NC
InChIInChI=1S/C5H9FN2/c1-4(6)5(2)8-7-3/h7H,1H2,2-3H3/b8-5+
InChIKeyYZGLCKJHOLQATO-VMPITWQZSA-N
MW116.14 g/mol
LogP1.06
Rot. Bonds2

About N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine

N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine (PubChem CID 154967870) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine.

Molecular Properties

Compound NameN-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine
PubChem CID154967870
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC NameN-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine
SMILESC=C(F)/C(C)=N/NC
InChIInChI=1S/C5H9FN2/c1-4(6)5(2)8-7-3/h7H,1H2,2-3H3/b8-5+
InChIKeyYZGLCKJHOLQATO-VMPITWQZSA-N
XLogP1.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine?
The IUPAC name of N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine (CID 154967870) is N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine.
What is the SMILES notation for N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine?
The canonical SMILES for N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine is C=C(F)/C(C)=N/NC.
What is the InChIKey of N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine?
The InChIKey is YZGLCKJHOLQATO-VMPITWQZSA-N. The full InChI is InChI=1S/C5H9FN2/c1-4(6)5(2)8-7-3/h7H,1H2,2-3H3/b8-5+.
What are the key properties of N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine?
N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine has a molecular weight of 116.14 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-fluorobut-3-en-2-ylideneamino]methanamine is sourced from PubChem (CID 154967870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).