1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone

C6H10FNO — CID 167202948

IUPAC1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@]1(F)CCNC1
InChIInChI=1S/C6H10FNO/c1-5(9)6(7)2-3-8-4-6/h8H,2-4H2,1H3/t6-/m0/s1
InChIKeyJSHYETBCKXQKFN-LURJTMIESA-N
MW131.15 g/mol
LogP0.28
Rot. Bonds1

About 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone

1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone (PubChem CID 167202948) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone
PubChem CID167202948
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone
SMILESCC(=O)[C@]1(F)CCNC1
InChIInChI=1S/C6H10FNO/c1-5(9)6(7)2-3-8-4-6/h8H,2-4H2,1H3/t6-/m0/s1
InChIKeyJSHYETBCKXQKFN-LURJTMIESA-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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Related Compounds

2,2,2-Trifluoro-1-(pyrrolidin-3-yl)ethan-1-one hydrochloride
CID 177802002
1-(Pyrrolidin-3-yl)ethanone
CID 19608940
1-(4-Fluoropiperidin-4-yl)ethanone
CID 58293877
1-(3-Fluoropyrrolidin-3-yl)-2-(propan-2-ylamino)ethanone
CID 146329193
1-(3-Fluoropyrrolidin-3-yl)-2-methylpropan-1-one
CID 149226784
1-(4-Fluoro-1-methylpyrrolidin-3-yl)ethanone
CID 156736416
1-(3-Fluoropyrrolidin-3-yl)ethan-1-one
CID 156802199
1-[(3R)-3-fluoropyrrolidin-3-yl]ethanone
CID 167202946
1-(3-Fluoro-1-methylpyrrolidin-3-yl)ethanone
CID 170181596
(3S)-3-ethyl-3-fluoropyrrolidin-2-one
CID 175917698
(3R)-3-ethyl-3-fluoropyrrolidin-2-one
CID 175917749
1-Fluoro-1-pyrrolidin-3-ylpropan-2-one
CID 105428770

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone (CID 167202948) is 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone is CC(=O)[C@]1(F)CCNC1.
What is the InChIKey of 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone?
The InChIKey is JSHYETBCKXQKFN-LURJTMIESA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)6(7)2-3-8-4-6/h8H,2-4H2,1H3/t6-/m0/s1.
What are the key properties of 1-[(3S)-3-fluoropyrrolidin-3-yl]ethanone?
1-[(3S)-3-fluoropyrrolidin-3-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-[(3S)-3-fluoropyrrolidin-3-yl]ethanone is sourced from PubChem (CID 167202948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).