1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone

C8H14FNO — CID 122533806

IUPAC1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@](C)(F)CN1C
InChIInChI=1S/C8H14FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h7H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyYASXGZGFLMWMKW-JGVFFNPUSA-N
MW159.20 g/mol
LogP1.01
Rot. Bonds1

About 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone

1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone (PubChem CID 122533806) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone
PubChem CID122533806
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@](C)(F)CN1C
InChIInChI=1S/C8H14FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h7H,4-5H2,1-3H3/t7-,8+/m0/s1
InChIKeyYASXGZGFLMWMKW-JGVFFNPUSA-N
XLogP1.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone (CID 122533806) is 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1C[C@@](C)(F)CN1C.
What is the InChIKey of 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone?
The InChIKey is YASXGZGFLMWMKW-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14FNO/c1-6(11)7-4-8(2,9)5-10(7)3/h7H,4-5H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone?
1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone has a molecular weight of 159.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 122533806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).