(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate

C9H13FO4 — CID 90159924

IUPAC(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CF)C(=O)OCC
InChIInChI=1S/C9H13FO4/c1-4-13-9(12)7(5-10)14-8(11)6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyLKWVQVBMUODKCB-UHFFFAOYSA-N
MW204.20 g/mol
LogP1.01
Rot. Bonds5

About (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate

(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate (PubChem CID 90159924) has the molecular formula C9H13FO4 and a molecular weight of 204.20 g/mol. Its IUPAC name is (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate
PubChem CID90159924
Molecular FormulaC9H13FO4
Molecular Weight204.20 g/mol
Exact Mass204.08
IUPAC Name(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CF)C(=O)OCC
InChIInChI=1S/C9H13FO4/c1-4-13-9(12)7(5-10)14-8(11)6(2)3/h7H,2,4-5H2,1,3H3
InChIKeyLKWVQVBMUODKCB-UHFFFAOYSA-N
XLogP1.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 51.01
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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Tripropylene glycol dimethacrylate
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2-Oxo-2-(2,2,2-trifluoroethoxy)ethyl methacrylate
CID 57811026
Bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-(2-methylprop-2-enoyloxy)propanedioate
CID 138741623
1,1'-Oxybis-2-propanol dimethacrylate
CID 54031412
2-Propenoic acid, 2-methyl-, 1,1'-((1-methyl-1,2-ethanediyl)bis(oxy(methyl-2,1-ethanediyl))) ester
CID 162635
2-(2-Hydroxypropanoyloxy)ethyl 2-methylprop-2-enoate
CID 17808775
2-Acetyloxypropyl 2-methylprop-2-enoate
CID 19357487

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate (CID 90159924) is (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(CF)C(=O)OCC.
What is the InChIKey of (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate?
The InChIKey is LKWVQVBMUODKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO4/c1-4-13-9(12)7(5-10)14-8(11)6(2)3/h7H,2,4-5H2,1,3H3.
What are the key properties of (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate?
(1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate has a molecular weight of 204.20 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-fluoro-1-oxopropan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 90159924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).