N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride

C6H8F2N2 — CID 167231763

IUPACN-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(F)=C\N=C(/C)F
InChIInChI=1S/C6H8F2N2/c1-4(9)6(8)3-10-5(2)7/h3,9H,1-2H3/b6-3+,9-4+,10-5+
InChIKeyAUANKRKQHPILAJ-VOSNWNIESA-N
MW146.14 g/mol
LogP2.22
Rot. Bonds2

About N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride

N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride (PubChem CID 167231763) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
PubChem CID167231763
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC NameN-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
SMILES[H]/N=C(C)/C(F)=C\N=C(/C)F
InChIInChI=1S/C6H8F2N2/c1-4(9)6(8)3-10-5(2)7/h3,9H,1-2H3/b6-3+,9-4+,10-5+
InChIKeyAUANKRKQHPILAJ-VOSNWNIESA-N
XLogP2.22
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride (CID 167231763) is N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride is [H]/N=C(C)/C(F)=C\N=C(/C)F.
What is the InChIKey of N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride?
The InChIKey is AUANKRKQHPILAJ-VOSNWNIESA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4(9)6(8)3-10-5(2)7/h3,9H,1-2H3/b6-3+,9-4+,10-5+.
What are the key properties of N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride?
N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride has a molecular weight of 146.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 167231763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).