(1E)-N-hydroxyethanimidoyl fluoride

C2H4FNO — CID 142994151

IUPAC(1E)-N-hydroxyethanimidoyl fluoride
SMILESC/C(F)=N\O
InChIInChI=1S/C2H4FNO/c1-2(3)4-5/h5H,1H3/b4-2+
InChIKeyCIOVLLLAYHQWBE-DUXPYHPUSA-N
MW77.06 g/mol
LogP0.76
Rot. Bonds

About (1E)-N-hydroxyethanimidoyl fluoride

(1E)-N-hydroxyethanimidoyl fluoride (PubChem CID 142994151) has the molecular formula C2H4FNO and a molecular weight of 77.06 g/mol. Its IUPAC name is (1E)-N-hydroxyethanimidoyl fluoride.

Molecular Properties

Compound Name(1E)-N-hydroxyethanimidoyl fluoride
PubChem CID142994151
Molecular FormulaC2H4FNO
Molecular Weight77.06 g/mol
Exact Mass77.03
IUPAC Name(1E)-N-hydroxyethanimidoyl fluoride
SMILESC/C(F)=N\O
InChIInChI=1S/C2H4FNO/c1-2(3)4-5/h5H,1H3/b4-2+
InChIKeyCIOVLLLAYHQWBE-DUXPYHPUSA-N
XLogP0.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50077.06
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 (1E)-N-hydroxyethanimidoyl fluoride?
The IUPAC name of (1E)-N-hydroxyethanimidoyl fluoride (CID 142994151) is (1E)-N-hydroxyethanimidoyl fluoride.
What is the SMILES notation for (1E)-N-hydroxyethanimidoyl fluoride?
The canonical SMILES for (1E)-N-hydroxyethanimidoyl fluoride is C/C(F)=N\O.
What is the InChIKey of (1E)-N-hydroxyethanimidoyl fluoride?
The InChIKey is CIOVLLLAYHQWBE-DUXPYHPUSA-N. The full InChI is InChI=1S/C2H4FNO/c1-2(3)4-5/h5H,1H3/b4-2+.
What are the key properties of (1E)-N-hydroxyethanimidoyl fluoride?
(1E)-N-hydroxyethanimidoyl fluoride has a molecular weight of 77.06 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-hydroxyethanimidoyl fluoride is sourced from PubChem (CID 142994151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).