methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate

C14H15ClFNO3 — CID 19908875

IUPACmethyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(F)c1ccccc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-4-8-17(11)13(18)12(16)9-5-2-3-6-10(9)15/h2-3,5-6,11-12H,4,7-8H2,1H3
InChIKeyWILGBAXSTWMDSI-UHFFFAOYSA-N
MW299.73 g/mol
LogP2.51
Rot. Bonds3

About methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate

methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate (PubChem CID 19908875) has the molecular formula C14H15ClFNO3 and a molecular weight of 299.73 g/mol. Its IUPAC name is methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate
PubChem CID19908875
Molecular FormulaC14H15ClFNO3
Molecular Weight299.73 g/mol
Exact Mass299.07
IUPAC Namemethyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C(F)c1ccccc1Cl
InChIInChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-4-8-17(11)13(18)12(16)9-5-2-3-6-10(9)15/h2-3,5-6,11-12H,4,7-8H2,1H3
InChIKeyWILGBAXSTWMDSI-UHFFFAOYSA-N
XLogP2.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate (CID 19908875) is methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C(F)c1ccccc1Cl.
What is the InChIKey of methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate?
The InChIKey is WILGBAXSTWMDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO3/c1-20-14(19)11-7-4-8-17(11)13(18)12(16)9-5-2-3-6-10(9)15/h2-3,5-6,11-12H,4,7-8H2,1H3.
What are the key properties of methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate?
methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate has a molecular weight of 299.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2-chlorophenyl)-2-fluoroacetyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 19908875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).