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

C8H9FO4 — CID 90840017

IUPAC(5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate
SMILESCC(=CF)C(=O)OC1CCC(=O)O1
InChIInChI=1S/C8H9FO4/c1-5(4-9)8(11)13-7-3-2-6(10)12-7/h4,7H,2-3H2,1H3
InChIKeyNSUBLNGFYFWTGT-UHFFFAOYSA-N
MW188.15 g/mol
LogP1.07
Rot. Bonds2

About (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate

(5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate (PubChem CID 90840017) has the molecular formula C8H9FO4 and a molecular weight of 188.15 g/mol. Its IUPAC name is (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate
PubChem CID90840017
Molecular FormulaC8H9FO4
Molecular Weight188.15 g/mol
Exact Mass188.05
IUPAC Name(5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate
SMILESCC(=CF)C(=O)OC1CCC(=O)O1
InChIInChI=1S/C8H9FO4/c1-5(4-9)8(11)13-7-3-2-6(10)12-7/h4,7H,2-3H2,1H3
InChIKeyNSUBLNGFYFWTGT-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
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

Oxolan-2-yl 2-methylprop-2-enoate
CID 154299
(2-Tetrahydrofuranyloxy)ethyl methacrylate
CID 67660122
Oxolan-2-yl 2-(trifluoromethyl)prop-2-enoate
CID 18443721
(5-Oxooxolan-2-yl) 2-(trifluoromethyl)prop-2-enoate
CID 20612652
(2-Fluorooxolan-2-yl) 2-methylprop-2-enoate
CID 140069902
1-(2-Fluoroethoxy)ethyl 2-methylprop-2-enoate
CID 140531154
(2-Ethoxytetrahydrofuran-2-yloxyethyl methacrylate)
CID 167713519
1-[1-(2-Methylprop-2-enoyloxy)ethoxy]ethyl butanoate
CID 19602206
4-O-methyl 1-O-(2-oxo-1,3-dioxolan-4-yl) 2-methylidenebutanedioate
CID 19840677
1-Ethoxyethyl 4-(2-methylprop-2-enoyloxy)butanoate
CID 20659324
(5-Oxooxolan-2-yl) 2-methylprop-2-enoate
CID 21889432
5-Methoxy-3-methylideneoxolan-2-one
CID 23382769

Frequently Asked Questions

What is the IUPAC name of (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate?
The IUPAC name of (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate (CID 90840017) is (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate.
What is the SMILES notation for (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate?
The canonical SMILES for (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate is CC(=CF)C(=O)OC1CCC(=O)O1.
What is the InChIKey of (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate?
The InChIKey is NSUBLNGFYFWTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO4/c1-5(4-9)8(11)13-7-3-2-6(10)12-7/h4,7H,2-3H2,1H3.
What are the key properties of (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate?
(5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate has a molecular weight of 188.15 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxooxolan-2-yl) 3-fluoro-2-methylprop-2-enoate is sourced from PubChem (CID 90840017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).