2-fluoroethyl 2-methylprop-2-enoate

C6H9FO2 — CID 2737319

IUPAC2-fluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCF
InChIInChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InChIKeyWPSKNCNCLSXMTN-UHFFFAOYSA-N
MW132.13 g/mol
LogP1.08
Rot. Bonds3

About 2-fluoroethyl 2-methylprop-2-enoate

2-fluoroethyl 2-methylprop-2-enoate (PubChem CID 2737319) has the molecular formula C6H9FO2 and a molecular weight of 132.13 g/mol. Its IUPAC name is 2-fluoroethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-fluoroethyl 2-methylprop-2-enoate
PubChem CID2737319
Molecular FormulaC6H9FO2
Molecular Weight132.13 g/mol
Exact Mass132.06
IUPAC Name2-fluoroethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCF
InChIInChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3
InChIKeyWPSKNCNCLSXMTN-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-methylprop-2-enoate?
The IUPAC name of 2-fluoroethyl 2-methylprop-2-enoate (CID 2737319) is 2-fluoroethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-fluoroethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-fluoroethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 2-methylprop-2-enoate?
The InChIKey is WPSKNCNCLSXMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO2/c1-5(2)6(8)9-4-3-7/h1,3-4H2,2H3.
What are the key properties of 2-fluoroethyl 2-methylprop-2-enoate?
2-fluoroethyl 2-methylprop-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 2-fluoroethyl 2-methylprop-2-enoate is sourced from PubChem (CID 2737319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).