(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride

C4H4ClFO2 — CID 15324373

IUPAC(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride
SMILESCO/C=C(\F)C(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-8-2-3(6)4(5)7/h2H,1H3/b3-2-
InChIKeyZEMRGMFMKBTFLT-IHWYPQMZSA-N
MW138.52 g/mol
LogP1.21
Rot. Bonds2

About (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride

(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride (PubChem CID 15324373) has the molecular formula C4H4ClFO2 and a molecular weight of 138.52 g/mol. Its IUPAC name is (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride
PubChem CID15324373
Molecular FormulaC4H4ClFO2
Molecular Weight138.52 g/mol
Exact Mass137.99
IUPAC Name(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride
SMILESCO/C=C(\F)C(=O)Cl
InChIInChI=1S/C4H4ClFO2/c1-8-2-3(6)4(5)7/h2H,1H3/b3-2-
InChIKeyZEMRGMFMKBTFLT-IHWYPQMZSA-N
XLogP1.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.52
LogP ≤ 51.21
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 (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride?
The IUPAC name of (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride (CID 15324373) is (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride.
What is the SMILES notation for (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride?
The canonical SMILES for (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride is CO/C=C(\F)C(=O)Cl.
What is the InChIKey of (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride?
The InChIKey is ZEMRGMFMKBTFLT-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H4ClFO2/c1-8-2-3(6)4(5)7/h2H,1H3/b3-2-.
What are the key properties of (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride?
(Z)-2-fluoro-3-methoxyprop-2-enoyl chloride has a molecular weight of 138.52 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-methoxyprop-2-enoyl chloride is sourced from PubChem (CID 15324373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).