ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate

C8H10F3NO3 — CID 173407973

IUPACethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate
SMILESCCOC(=O)C(C=CC(F)(F)F)=NOC
InChIInChI=1S/C8H10F3NO3/c1-3-15-7(13)6(12-14-2)4-5-8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyCSNVNMXJTOASIR-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.67
Rot. Bonds4

About ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate

ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate (PubChem CID 173407973) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate.

Molecular Properties

Compound Nameethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate
PubChem CID173407973
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Nameethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate
SMILESCCOC(=O)C(C=CC(F)(F)F)=NOC
InChIInChI=1S/C8H10F3NO3/c1-3-15-7(13)6(12-14-2)4-5-8(9,10)11/h4-5H,3H2,1-2H3
InChIKeyCSNVNMXJTOASIR-UHFFFAOYSA-N
XLogP1.67
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.67
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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Related Compounds

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CID 138059477
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ethyl (3E)-2-methoxyimino-3-methylhexa-3,5-dienoate
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diethyl (2E,5E)-4-methoxyiminohepta-2,5-dienedioate
CID 121000551
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ethyl (E)-2-ethyl-4,4,4-trifluorobut-2-enoate
CID 10821704
ethyl 2-methoxyimino-5,5-dimethyl-4-oxohexanoate
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ethyl (E)-4,4,4-trifluoro-2-formylbut-2-enoate
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diethyl (E,4E)-4-hydroxyiminopent-2-enedioate
CID 6405713
ethyl 3-bromo-2-iodoprop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate?
The IUPAC name of ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate (CID 173407973) is ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate.
What is the SMILES notation for ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate?
The canonical SMILES for ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate is CCOC(=O)C(C=CC(F)(F)F)=NOC.
What is the InChIKey of ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate?
The InChIKey is CSNVNMXJTOASIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-3-15-7(13)6(12-14-2)4-5-8(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate?
ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate has a molecular weight of 225.17 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,5,5-trifluoro-2-methoxyiminopent-3-enoate is sourced from PubChem (CID 173407973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).