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

C6H10FNO — CID 67727416

IUPAC1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C6H10FNO/c1-4(9)6-2-5(7)3-8-6/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyBOSJSYQRWGOXIJ-RITPCOANSA-N
MW131.15 g/mol
LogP0.28
Rot. Bonds1

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

1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone (PubChem CID 67727416) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
PubChem CID67727416
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C6H10FNO/c1-4(9)6-2-5(7)3-8-6/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1
InChIKeyBOSJSYQRWGOXIJ-RITPCOANSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone (CID 67727416) is 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone?
The InChIKey is BOSJSYQRWGOXIJ-RITPCOANSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4(9)6-2-5(7)3-8-6/h5-6,8H,2-3H2,1H3/t5-,6+/m1/s1.
What are the key properties of 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone?
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone has a molecular weight of 131.15 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone is sourced from PubChem (CID 67727416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).