1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone

C9H16FNO — CID 142989381

IUPAC1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
SMILESCCCC1(F)CN[C@H](C(C)=O)C1
InChIInChI=1S/C9H16FNO/c1-3-4-9(10)5-8(7(2)12)11-6-9/h8,11H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyWTGNGYIDJGOSBI-IENPIDJESA-N
MW173.23 g/mol
LogP1.45
Rot. Bonds3

About 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone

1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone (PubChem CID 142989381) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
PubChem CID142989381
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
SMILESCCCC1(F)CN[C@H](C(C)=O)C1
InChIInChI=1S/C9H16FNO/c1-3-4-9(10)5-8(7(2)12)11-6-9/h8,11H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyWTGNGYIDJGOSBI-IENPIDJESA-N
XLogP1.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone (CID 142989381) is 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone is CCCC1(F)CN[C@H](C(C)=O)C1.
What is the InChIKey of 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone?
The InChIKey is WTGNGYIDJGOSBI-IENPIDJESA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-4-9(10)5-8(7(2)12)11-6-9/h8,11H,3-6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone?
1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone has a molecular weight of 173.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 142989381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).