(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

C7H13FN2O — CID 67428867

IUPAC(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C7H13FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyFODIFLZXFOUPOS-NTSWFWBYSA-N
MW160.19 g/mol
LogP-0.23
Rot. Bonds1

About (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide

(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 67428867) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID67428867
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@H](F)CN1
InChIInChI=1S/C7H13FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyFODIFLZXFOUPOS-NTSWFWBYSA-N
XLogP-0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide (CID 67428867) is (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1C[C@H](F)CN1.
What is the InChIKey of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is FODIFLZXFOUPOS-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide?
(2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 160.19 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 67428867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).