(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate

C8H9FO4 — CID 141024117

IUPAC(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(F)CCOC1=O
InChIInChI=1S/C8H9FO4/c1-5(2)6(10)13-8(9)3-4-12-7(8)11/h1,3-4H2,2H3
InChIKeyDGORPJPZBYXXAW-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.72
Rot. Bonds2

About (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate

(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate (PubChem CID 141024117) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
PubChem CID141024117
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(F)CCOC1=O
InChIInChI=1S/C8H9FO4/c1-5(2)6(10)13-8(9)3-4-12-7(8)11/h1,3-4H2,2H3
InChIKeyDGORPJPZBYXXAW-UHFFFAOYSA-N
XLogP0.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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alpha-(2-Trifluoromethyl-2-propenoyloxy)-gamma-butyrolactone
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(3-Methyl-2-oxooxolan-3-yl) 2-(trifluoromethyl)prop-2-enoate
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(4-Fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21863743
(4-Fluoro-5-oxooxolan-3-yl) 2-methylprop-2-enoate
CID 21863792
(2-Oxooxolan-3-yl) 2-fluoroprop-2-enoate
CID 58662878
(2-Oxooxolan-3-yl) 2-(fluoromethyl)prop-2-enoate
CID 69477689
[1-(2-Fluoroethoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 88573938
4-O-(2,2-difluoropropyl) 1-O-(2-oxooxolan-3-yl) 2-methylidenebutanedioate
CID 89113974
[2-(2-Fluoroethoxy)-2-oxoethyl] 2-methylprop-2-enoate
CID 89985529
(1-Ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate
CID 90159924
(2-Oxooxolan-3-yl) 2-(2,2-difluoropropanoyloxymethyl)prop-2-enoate
CID 90328369

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate (CID 141024117) is (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(F)CCOC1=O.
What is the InChIKey of (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
The InChIKey is DGORPJPZBYXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-5(2)6(10)13-8(9)3-4-12-7(8)11/h1,3-4H2,2H3.
What are the key properties of (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate?
(3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate has a molecular weight of 188.15 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-oxooxolan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 141024117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).