N-ethanimidoylmethanimidoyl fluoride

C3H5FN2 — CID 123159714

IUPACN-ethanimidoylmethanimidoyl fluoride
SMILES[H]/N=C(C)/N=C/F
InChIInChI=1S/C3H5FN2/c1-3(5)6-2-4/h2,5H,1H3/b5-3+,6-2+
InChIKeyZMGPOMJOCOXPGQ-BNNIKMIXSA-N
MW88.08 g/mol
LogP0.98
Rot. Bonds

About N-ethanimidoylmethanimidoyl fluoride

N-ethanimidoylmethanimidoyl fluoride (PubChem CID 123159714) has the molecular formula C3H5FN2 and a molecular weight of 88.08 g/mol. Its IUPAC name is N-ethanimidoylmethanimidoyl fluoride.

Molecular Properties

Compound NameN-ethanimidoylmethanimidoyl fluoride
PubChem CID123159714
Molecular FormulaC3H5FN2
Molecular Weight88.08 g/mol
Exact Mass88.04
IUPAC NameN-ethanimidoylmethanimidoyl fluoride
SMILES[H]/N=C(C)/N=C/F
InChIInChI=1S/C3H5FN2/c1-3(5)6-2-4/h2,5H,1H3/b5-3+,6-2+
InChIKeyZMGPOMJOCOXPGQ-BNNIKMIXSA-N
XLogP0.98
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.08
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethanimidoylmethanimidoyl fluoride?
The IUPAC name of N-ethanimidoylmethanimidoyl fluoride (CID 123159714) is N-ethanimidoylmethanimidoyl fluoride.
What is the SMILES notation for N-ethanimidoylmethanimidoyl fluoride?
The canonical SMILES for N-ethanimidoylmethanimidoyl fluoride is [H]/N=C(C)/N=C/F.
What is the InChIKey of N-ethanimidoylmethanimidoyl fluoride?
The InChIKey is ZMGPOMJOCOXPGQ-BNNIKMIXSA-N. The full InChI is InChI=1S/C3H5FN2/c1-3(5)6-2-4/h2,5H,1H3/b5-3+,6-2+.
What are the key properties of N-ethanimidoylmethanimidoyl fluoride?
N-ethanimidoylmethanimidoyl fluoride has a molecular weight of 88.08 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoylmethanimidoyl fluoride is sourced from PubChem (CID 123159714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).