N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride

C5H6F2N2 — CID 166843287

IUPACN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride
SMILESC=N/C(F)=C\N=C(/C)F
InChIInChI=1S/C5H6F2N2/c1-4(6)9-3-5(7)8-2/h3H,2H2,1H3/b5-3-,9-4+
InChIKeyNFMDVOMOJFHNSJ-LWUTYWFWSA-N
MW132.11 g/mol
LogP1.84
Rot. Bonds2

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

N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride (PubChem CID 166843287) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride
PubChem CID166843287
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC NameN-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride
SMILESC=N/C(F)=C\N=C(/C)F
InChIInChI=1S/C5H6F2N2/c1-4(6)9-3-5(7)8-2/h3H,2H2,1H3/b5-3-,9-4+
InChIKeyNFMDVOMOJFHNSJ-LWUTYWFWSA-N
XLogP1.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.84
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-(1-fluoroethenyl)ethanimine
CID 123218479
N-[(Z)-2-fluoroethenyl]ethanimidoyl fluoride
CID 138637852
N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimine
CID 146223247
(Z)-N-(1-fluoroethenyl)ethanimine
CID 144401493

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride (CID 166843287) is N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride is C=N/C(F)=C\N=C(/C)F.
What is the InChIKey of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride?
The InChIKey is NFMDVOMOJFHNSJ-LWUTYWFWSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-4(6)9-3-5(7)8-2/h3H,2H2,1H3/b5-3-,9-4+.
What are the key properties of N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride?
N-[(E)-2-fluoro-2-(methylideneamino)ethenyl]ethanimidoyl fluoride has a molecular weight of 132.11 g/mol, XLogP of 1.84, 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]ethanimidoyl fluoride is sourced from PubChem (CID 166843287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).