methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate

C19H20FNO3 — CID 59164831

IUPACmethyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C19H20FNO3/c1-23-19(22)18-11-10-17(21-18)13-6-8-15(9-7-13)24-12-14-4-2-3-5-16(14)20/h2-9,17-18,21H,10-12H2,1H3
InChIKeyKGOQBAFPBKDQNS-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.37
Rot. Bonds5

About methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate

methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate (PubChem CID 59164831) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
PubChem CID59164831
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namemethyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1
InChIInChI=1S/C19H20FNO3/c1-23-19(22)18-11-10-17(21-18)13-6-8-15(9-7-13)24-12-14-4-2-3-5-16(14)20/h2-9,17-18,21H,10-12H2,1H3
InChIKeyKGOQBAFPBKDQNS-UHFFFAOYSA-N
XLogP3.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate (CID 59164831) is methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate is COC(=O)C1CCC(c2ccc(OCc3ccccc3F)cc2)N1.
What is the InChIKey of methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
The InChIKey is KGOQBAFPBKDQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-23-19(22)18-11-10-17(21-18)13-6-8-15(9-7-13)24-12-14-4-2-3-5-16(14)20/h2-9,17-18,21H,10-12H2,1H3.
What are the key properties of methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate?
methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(2-fluorophenyl)methoxy]phenyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59164831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).