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

C8H8FNO3 — CID 170619161

IUPACethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccon1
InChIInChI=1S/C8H8FNO3/c1-2-12-8(11)7(9)5-6-3-4-13-10-6/h3-5H,2H2,1H3/b7-5-
InChIKeyXSQFAFQLQVRSPG-ALCCZGGFSA-N
MW185.15 g/mol
LogP1.55
Rot. Bonds3

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

ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate (PubChem CID 170619161) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
PubChem CID170619161
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Nameethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccon1
InChIInChI=1S/C8H8FNO3/c1-2-12-8(11)7(9)5-6-3-4-13-10-6/h3-5H,2H2,1H3/b7-5-
InChIKeyXSQFAFQLQVRSPG-ALCCZGGFSA-N
XLogP1.55
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate (CID 170619161) is ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate is CCOC(=O)/C(F)=C/c1ccon1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate?
The InChIKey is XSQFAFQLQVRSPG-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-2-12-8(11)7(9)5-6-3-4-13-10-6/h3-5H,2H2,1H3/b7-5-.
What are the key properties of ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(1,2-oxazol-3-yl)prop-2-enoate has a molecular weight of 185.15 g/mol, XLogP of 1.55, 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-(1,2-oxazol-3-yl)prop-2-enoate is sourced from PubChem (CID 170619161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).