1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate

C8H13FO3 — CID 140531154

IUPAC1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OCCF
InChIInChI=1S/C8H13FO3/c1-6(2)8(10)12-7(3)11-5-4-9/h7H,1,4-5H2,2-3H3
InChIKeyLOAYRSJYHDAEOJ-UHFFFAOYSA-N
MW176.19 g/mol
LogP1.44
Rot. Bonds5

About 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate

1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate (PubChem CID 140531154) has the molecular formula C8H13FO3 and a molecular weight of 176.19 g/mol. Its IUPAC name is 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate
PubChem CID140531154
Molecular FormulaC8H13FO3
Molecular Weight176.19 g/mol
Exact Mass176.08
IUPAC Name1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OCCF
InChIInChI=1S/C8H13FO3/c1-6(2)8(10)12-7(3)11-5-4-9/h7H,1,4-5H2,2-3H3
InChIKeyLOAYRSJYHDAEOJ-UHFFFAOYSA-N
XLogP1.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate (CID 140531154) is 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OCCF.
What is the InChIKey of 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate?
The InChIKey is LOAYRSJYHDAEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO3/c1-6(2)8(10)12-7(3)11-5-4-9/h7H,1,4-5H2,2-3H3.
What are the key properties of 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate?
1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate has a molecular weight of 176.19 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 140531154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).