ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate

C15H19FO3 — CID 114873122

IUPACethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC1(CC)c1cccc(F)c1
InChIInChI=1S/C15H19FO3/c1-4-14(11-8-7-9-12(16)10-11)15(5-2,19-14)13(17)18-6-3/h7-10H,4-6H2,1-3H3
InChIKeyRCPNVAXPAFXMTO-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.17
Rot. Bonds5

About ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate

ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate (PubChem CID 114873122) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate
PubChem CID114873122
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Nameethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate
SMILESCCOC(=O)C1(CC)OC1(CC)c1cccc(F)c1
InChIInChI=1S/C15H19FO3/c1-4-14(11-8-7-9-12(16)10-11)15(5-2,19-14)13(17)18-6-3/h7-10H,4-6H2,1-3H3
InChIKeyRCPNVAXPAFXMTO-UHFFFAOYSA-N
XLogP3.17
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[1-(3-fluorophenyl)cyclopropyl]amino]-2-oxoacetate
CID 110481889
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CID 79298904
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ethyl 3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxylate;3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 159904167
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CID 103354878
ethyl 2-fluoro-3-methyl-3-phenyloxirane-2-carboxylate
CID 102173659
ethyl 2-(3-methoxyphenyl)oxirane-2-carboxylate
CID 174756675
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
ethyl 2-(3-fluorophenyl)-2-isocyanoacetate
CID 140839198
ethyl 1-[(3-fluorophenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 103574688
ethyl (Z)-2-acetyloxy-3-amino-3-(3-fluorophenyl)prop-2-enoate
CID 134397365
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CID 803189

Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate?
The IUPAC name of ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate (CID 114873122) is ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate.
What is the SMILES notation for ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate?
The canonical SMILES for ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate is CCOC(=O)C1(CC)OC1(CC)c1cccc(F)c1.
What is the InChIKey of ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate?
The InChIKey is RCPNVAXPAFXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-4-14(11-8-7-9-12(16)10-11)15(5-2,19-14)13(17)18-6-3/h7-10H,4-6H2,1-3H3.
What are the key properties of ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate?
ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate has a molecular weight of 266.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diethyl-3-(3-fluorophenyl)oxirane-2-carboxylate is sourced from PubChem (CID 114873122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).