2-(fluoromethyl)prop-2-enoate

C4H4FO2- — CID 18790386

IUPAC2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)[O-]
InChIInChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)/p-1
InChIKeyLFRKWTIHOBLWSY-UHFFFAOYSA-M
MW103.07 g/mol
LogP-0.74
Rot. Bonds2

About 2-(fluoromethyl)prop-2-enoate

2-(fluoromethyl)prop-2-enoate (PubChem CID 18790386) has the molecular formula C4H4FO2- and a molecular weight of 103.07 g/mol. Its IUPAC name is 2-(fluoromethyl)prop-2-enoate.

Molecular Properties

Compound Name2-(fluoromethyl)prop-2-enoate
PubChem CID18790386
Molecular FormulaC4H4FO2-
Molecular Weight103.07 g/mol
Exact Mass103.02
IUPAC Name2-(fluoromethyl)prop-2-enoate
SMILESC=C(CF)C(=O)[O-]
InChIInChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)/p-1
InChIKeyLFRKWTIHOBLWSY-UHFFFAOYSA-M
XLogP-0.74
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.07
LogP ≤ 5-0.74
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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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)prop-2-enoate?
The IUPAC name of 2-(fluoromethyl)prop-2-enoate (CID 18790386) is 2-(fluoromethyl)prop-2-enoate.
What is the SMILES notation for 2-(fluoromethyl)prop-2-enoate?
The canonical SMILES for 2-(fluoromethyl)prop-2-enoate is C=C(CF)C(=O)[O-].
What is the InChIKey of 2-(fluoromethyl)prop-2-enoate?
The InChIKey is LFRKWTIHOBLWSY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5FO2/c1-3(2-5)4(6)7/h1-2H2,(H,6,7)/p-1.
What are the key properties of 2-(fluoromethyl)prop-2-enoate?
2-(fluoromethyl)prop-2-enoate has a molecular weight of 103.07 g/mol, XLogP of -0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)prop-2-enoate is sourced from PubChem (CID 18790386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).