3-ethoxy-2-fluoroprop-2-enoyl chloride

C5H6ClFO2 — CID 54080437

IUPAC3-ethoxy-2-fluoroprop-2-enoyl chloride
SMILESCCOC=C(F)C(=O)Cl
InChIInChI=1S/C5H6ClFO2/c1-2-9-3-4(7)5(6)8/h3H,2H2,1H3
InChIKeyMMSCFBVANADMKY-UHFFFAOYSA-N
MW152.55 g/mol
LogP1.60
Rot. Bonds3

About 3-ethoxy-2-fluoroprop-2-enoyl chloride

3-ethoxy-2-fluoroprop-2-enoyl chloride (PubChem CID 54080437) has the molecular formula C5H6ClFO2 and a molecular weight of 152.55 g/mol. Its IUPAC name is 3-ethoxy-2-fluoroprop-2-enoyl chloride.

Molecular Properties

Compound Name3-ethoxy-2-fluoroprop-2-enoyl chloride
PubChem CID54080437
Molecular FormulaC5H6ClFO2
Molecular Weight152.55 g/mol
Exact Mass152.00
IUPAC Name3-ethoxy-2-fluoroprop-2-enoyl chloride
SMILESCCOC=C(F)C(=O)Cl
InChIInChI=1S/C5H6ClFO2/c1-2-9-3-4(7)5(6)8/h3H,2H2,1H3
InChIKeyMMSCFBVANADMKY-UHFFFAOYSA-N
XLogP1.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.55
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-fluoroprop-2-enoyl chloride?
The IUPAC name of 3-ethoxy-2-fluoroprop-2-enoyl chloride (CID 54080437) is 3-ethoxy-2-fluoroprop-2-enoyl chloride.
What is the SMILES notation for 3-ethoxy-2-fluoroprop-2-enoyl chloride?
The canonical SMILES for 3-ethoxy-2-fluoroprop-2-enoyl chloride is CCOC=C(F)C(=O)Cl.
What is the InChIKey of 3-ethoxy-2-fluoroprop-2-enoyl chloride?
The InChIKey is MMSCFBVANADMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClFO2/c1-2-9-3-4(7)5(6)8/h3H,2H2,1H3.
What are the key properties of 3-ethoxy-2-fluoroprop-2-enoyl chloride?
3-ethoxy-2-fluoroprop-2-enoyl chloride has a molecular weight of 152.55 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-fluoroprop-2-enoyl chloride is sourced from PubChem (CID 54080437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).