fluoromethyl (2E)-2-methoxyiminopropanoate

C5H8FNO3 — CID 89098176

IUPACfluoromethyl (2E)-2-methoxyiminopropanoate
SMILESCO/N=C(\C)C(=O)OCF
InChIInChI=1S/C5H8FNO3/c1-4(7-9-2)5(8)10-3-6/h3H2,1-2H3/b7-4+
InChIKeyDOCKOLMJJFJZLT-QPJJXVBHSA-N
MW149.12 g/mol
LogP0.48
Rot. Bonds3

About fluoromethyl (2E)-2-methoxyiminopropanoate

fluoromethyl (2E)-2-methoxyiminopropanoate (PubChem CID 89098176) has the molecular formula C5H8FNO3 and a molecular weight of 149.12 g/mol. Its IUPAC name is fluoromethyl (2E)-2-methoxyiminopropanoate.

Molecular Properties

Compound Namefluoromethyl (2E)-2-methoxyiminopropanoate
PubChem CID89098176
Molecular FormulaC5H8FNO3
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Namefluoromethyl (2E)-2-methoxyiminopropanoate
SMILESCO/N=C(\C)C(=O)OCF
InChIInChI=1S/C5H8FNO3/c1-4(7-9-2)5(8)10-3-6/h3H2,1-2H3/b7-4+
InChIKeyDOCKOLMJJFJZLT-QPJJXVBHSA-N
XLogP0.48
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 fluoromethyl (2E)-2-methoxyiminopropanoate?
The IUPAC name of fluoromethyl (2E)-2-methoxyiminopropanoate (CID 89098176) is fluoromethyl (2E)-2-methoxyiminopropanoate.
What is the SMILES notation for fluoromethyl (2E)-2-methoxyiminopropanoate?
The canonical SMILES for fluoromethyl (2E)-2-methoxyiminopropanoate is CO/N=C(\C)C(=O)OCF.
What is the InChIKey of fluoromethyl (2E)-2-methoxyiminopropanoate?
The InChIKey is DOCKOLMJJFJZLT-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8FNO3/c1-4(7-9-2)5(8)10-3-6/h3H2,1-2H3/b7-4+.
What are the key properties of fluoromethyl (2E)-2-methoxyiminopropanoate?
fluoromethyl (2E)-2-methoxyiminopropanoate has a molecular weight of 149.12 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl (2E)-2-methoxyiminopropanoate is sourced from PubChem (CID 89098176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).