(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide

C7H13FN2O — CID 67167681

IUPAC(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1
InChIKeyZPLRHYODVUIIJV-RITPCOANSA-N
MW160.19 g/mol
LogP-0.10
Rot. Bonds2

About (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide

(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide (PubChem CID 67167681) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide
PubChem CID67167681
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide
SMILESCCN1C[C@H](F)C[C@H]1C(N)=O
InChIInChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1
InChIKeyZPLRHYODVUIIJV-RITPCOANSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide (CID 67167681) is (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide is CCN1C[C@H](F)C[C@H]1C(N)=O.
What is the InChIKey of (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide?
The InChIKey is ZPLRHYODVUIIJV-RITPCOANSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-2-10-4-5(8)3-6(10)7(9)11/h5-6H,2-4H2,1H3,(H2,9,11)/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide?
(2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-ethyl-4-fluoropyrrolidine-2-carboxamide is sourced from PubChem (CID 67167681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).