N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine

C5H7FN2 — CID 146223247

IUPACN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine
SMILESC=N/C(F)=C\N=C\C
InChIInChI=1S/C5H7FN2/c1-3-8-4-5(6)7-2/h3-4H,2H2,1H3/b5-4-,8-3+
InChIKeyYHZOKXSRCOBWHV-UEQFWHKLSA-N
MW114.12 g/mol
LogP1.55
Rot. Bonds2

About N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine

N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine (PubChem CID 146223247) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine
PubChem CID146223247
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC NameN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine
SMILESC=N/C(F)=C\N=C\C
InChIInChI=1S/C5H7FN2/c1-3-8-4-5(6)7-2/h3-4H,2H2,1H3/b5-4-,8-3+
InChIKeyYHZOKXSRCOBWHV-UEQFWHKLSA-N
XLogP1.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine?
The IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine (CID 146223247) is N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine.
What is the SMILES notation for N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine?
The canonical SMILES for N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine is C=N/C(F)=C\N=C\C.
What is the InChIKey of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine?
The InChIKey is YHZOKXSRCOBWHV-UEQFWHKLSA-N. The full InChI is InChI=1S/C5H7FN2/c1-3-8-4-5(6)7-2/h3-4H,2H2,1H3/b5-4-,8-3+.
What are the key properties of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine?
N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine has a molecular weight of 114.12 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine is sourced from PubChem (CID 146223247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).