ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate

C15H20FNO2 — CID 114486764

IUPACethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1(CC)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-3-15(11-7-5-6-8-13(11)16)10-17-9-12(15)14(18)19-4-2/h5-8,12,17H,3-4,9-10H2,1-2H3
InChIKeyVWWBJLAXKJEIEC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.26
Rot. Bonds4

About ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate

ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate (PubChem CID 114486764) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
PubChem CID114486764
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate
SMILESCCOC(=O)C1CNCC1(CC)c1ccccc1F
InChIInChI=1S/C15H20FNO2/c1-3-15(11-7-5-6-8-13(11)16)10-17-9-12(15)14(18)19-4-2/h5-8,12,17H,3-4,9-10H2,1-2H3
InChIKeyVWWBJLAXKJEIEC-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate (CID 114486764) is ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate is CCOC(=O)C1CNCC1(CC)c1ccccc1F.
What is the InChIKey of ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate?
The InChIKey is VWWBJLAXKJEIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-3-15(11-7-5-6-8-13(11)16)10-17-9-12(15)14(18)19-4-2/h5-8,12,17H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate?
ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-4-(2-fluorophenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 114486764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).