ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate

C15H20FNO3 — CID 62026300

IUPACethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cc(F)ccc1OC
InChIInChI=1S/C15H20FNO3/c1-3-20-15(18)13-5-4-8-17(13)10-11-9-12(16)6-7-14(11)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyBIGQFLZHEWRKCQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.36
Rot. Bonds5

About ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate

ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62026300) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
PubChem CID62026300
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nameethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cc(F)ccc1OC
InChIInChI=1S/C15H20FNO3/c1-3-20-15(18)13-5-4-8-17(13)10-11-9-12(16)6-7-14(11)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3
InChIKeyBIGQFLZHEWRKCQ-UHFFFAOYSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate (CID 62026300) is ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1cc(F)ccc1OC.
What is the InChIKey of ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is BIGQFLZHEWRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-3-20-15(18)13-5-4-8-17(13)10-11-9-12(16)6-7-14(11)19-2/h6-7,9,13H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62026300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).