methyl 2-fluoroprop-2-enoate

C4H5FO2 — CID 2782524

IUPACmethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC
InChIInChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKeyZTZJVAOTIOAZGZ-UHFFFAOYSA-N
MW104.08 g/mol
LogP0.64
Rot. Bonds1

About methyl 2-fluoroprop-2-enoate

methyl 2-fluoroprop-2-enoate (PubChem CID 2782524) has the molecular formula C4H5FO2 and a molecular weight of 104.08 g/mol. Its IUPAC name is methyl 2-fluoroprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-fluoroprop-2-enoate
PubChem CID2782524
Molecular FormulaC4H5FO2
Molecular Weight104.08 g/mol
Exact Mass104.03
IUPAC Namemethyl 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC
InChIInChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3
InChIKeyZTZJVAOTIOAZGZ-UHFFFAOYSA-N
XLogP0.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.08
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methyl Acrylate
CID 7294
1,4-dimethyl (2Z)-2-fluorobut-2-enedioate
CID 5271576
dimethyl (E)-2-fluorobut-2-enedioate
CID 5271575
Methyl 2-(trifluoromethyl)acrylate
CID 2782391
Methyl 3,3-difluoroacrylate
CID 12698018
Methyl 2-fluoro-3-methoxyprop-2-enoate
CID 71415309
Methyl buta-2,3-dienoate
CID 140448
Ethyl 2-Fluoroacrylate
CID 2769363
(E)-3-Fluoropropenoic acid ethyl ester
CID 11815334
methyl (Z)-3-chloro-2-fluoroprop-2-enoate
CID 12587004
Butyl 2-fluoroprop-2-enoate
CID 10931569
2-Propenoic acid, 2-fluoro-3-methoxy-, methyl ester
CID 10986274

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoroprop-2-enoate?
The IUPAC name of methyl 2-fluoroprop-2-enoate (CID 2782524) is methyl 2-fluoroprop-2-enoate.
What is the SMILES notation for methyl 2-fluoroprop-2-enoate?
The canonical SMILES for methyl 2-fluoroprop-2-enoate is C=C(F)C(=O)OC.
What is the InChIKey of methyl 2-fluoroprop-2-enoate?
The InChIKey is ZTZJVAOTIOAZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FO2/c1-3(5)4(6)7-2/h1H2,2H3.
What are the key properties of methyl 2-fluoroprop-2-enoate?
methyl 2-fluoroprop-2-enoate has a molecular weight of 104.08 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoroprop-2-enoate is sourced from PubChem (CID 2782524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).