1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

C14H18FNO4 — CID 120688263

IUPAC1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)oc1CC
InChIInChI=1S/C14H18FNO4/c1-3-9-7-11(20-10(9)4-2)12(17)16-6-5-14(15,8-16)13(18)19/h7H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyJSRMYBJHTAWKAB-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.04
Rot. Bonds4

About 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid

1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 120688263) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID120688263
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)oc1CC
InChIInChI=1S/C14H18FNO4/c1-3-9-7-11(20-10(9)4-2)12(17)16-6-5-14(15,8-16)13(18)19/h7H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyJSRMYBJHTAWKAB-UHFFFAOYSA-N
XLogP2.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid (CID 120688263) is 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is CCc1cc(C(=O)N2CCC(F)(C(=O)O)C2)oc1CC.
What is the InChIKey of 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is JSRMYBJHTAWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-9-7-11(20-10(9)4-2)12(17)16-6-5-14(15,8-16)13(18)19/h7H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid?
1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 283.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-diethylfuran-2-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 120688263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).