ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate

C9H11FN2O2 — CID 170939600

IUPACethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1nccn1C
InChIInChI=1S/C9H11FN2O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-6H,3H2,1-2H3/b7-6-
InChIKeyGKXFRQZJQAXJQY-SREVYHEPSA-N
MW198.20 g/mol
LogP1.29
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate (PubChem CID 170939600) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate
PubChem CID170939600
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Nameethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1nccn1C
InChIInChI=1S/C9H11FN2O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-6H,3H2,1-2H3/b7-6-
InChIKeyGKXFRQZJQAXJQY-SREVYHEPSA-N
XLogP1.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate (CID 170939600) is ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate is CCOC(=O)/C(F)=C/c1nccn1C.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate?
The InChIKey is GKXFRQZJQAXJQY-SREVYHEPSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-3-14-9(13)7(10)6-8-11-4-5-12(8)2/h4-6H,3H2,1-2H3/b7-6-.
What are the key properties of ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate has a molecular weight of 198.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(1-methylimidazol-2-yl)prop-2-enoate is sourced from PubChem (CID 170939600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).