ethyl 2-(fluoromethyl)prop-2-enoate

C6H9FO2 — CID 12815505

IUPACethyl 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OCC
InChIInChI=1S/C6H9FO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKeyUMJWVRIJGCYYTH-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.08
Rot. Bonds3

About ethyl 2-(fluoromethyl)prop-2-enoate

ethyl 2-(fluoromethyl)prop-2-enoate (PubChem CID 12815505) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is ethyl 2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(fluoromethyl)prop-2-enoate
PubChem CID12815505
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Nameethyl 2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)OCC
InChIInChI=1S/C6H9FO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKeyUMJWVRIJGCYYTH-UHFFFAOYSA-N
XLogP1.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 51.08
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

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Methacrylic anhydride
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CID 108343
Ethyl tiglate
CID 5281163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(fluoromethyl)prop-2-enoate?
The IUPAC name of ethyl 2-(fluoromethyl)prop-2-enoate (CID 12815505) is ethyl 2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for ethyl 2-(fluoromethyl)prop-2-enoate is C=C(CF)C(=O)OCC.
What is the InChIKey of ethyl 2-(fluoromethyl)prop-2-enoate?
The InChIKey is UMJWVRIJGCYYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3.
What are the key properties of ethyl 2-(fluoromethyl)prop-2-enoate?
ethyl 2-(fluoromethyl)prop-2-enoate has a molecular weight of 132.13 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 12815505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).