2-fluoro-1-pyrrolidin-2-ylethanone

C6H10FNO — CID 45080702

IUPAC2-fluoro-1-pyrrolidin-2-ylethanone
SMILESO=C(CF)C1CCCN1
InChIInChI=1S/C6H10FNO/c7-4-6(9)5-2-1-3-8-5/h5,8H,1-4H2
InChIKeyGTSKDOPCKIDBBS-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.28
Rot. Bonds2

About 2-fluoro-1-pyrrolidin-2-ylethanone

2-fluoro-1-pyrrolidin-2-ylethanone (PubChem CID 45080702) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-fluoro-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2-fluoro-1-pyrrolidin-2-ylethanone
PubChem CID45080702
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-fluoro-1-pyrrolidin-2-ylethanone
SMILESO=C(CF)C1CCCN1
InChIInChI=1S/C6H10FNO/c7-4-6(9)5-2-1-3-8-5/h5,8H,1-4H2
InChIKeyGTSKDOPCKIDBBS-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-Acetylpyrrolidine
CID 550747
1-[(2S)-pyrrolidin-2-yl]propan-1-one
CID 46863477
4-Fluoropyrrolidine-2-carbaldehyde
CID 23091795
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]ethanone
CID 67727416
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]ethanone
CID 68047194
1-(Pyrrolidin-2-yl)propan-1-one
CID 15775374
1-[(2S)-pyrrolidin-2-yl]propan-1-one hydrochloride
CID 121552991
(S)-2-Acetyl-pyrrolidine
CID 10987973
(R)-2-Acetyl-pyrrolidine
CID 53824472
1-[(2S)-pyrrolidin-1-ium-2-yl]ethanone;2,2,2-trifluoroacetate
CID 10987972
2,2,2-trifluoro-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 18642602
5-Methylpyrrolidin-3-one
CID 20082658

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2-fluoro-1-pyrrolidin-2-ylethanone (CID 45080702) is 2-fluoro-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2-fluoro-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2-fluoro-1-pyrrolidin-2-ylethanone is O=C(CF)C1CCCN1.
What is the InChIKey of 2-fluoro-1-pyrrolidin-2-ylethanone?
The InChIKey is GTSKDOPCKIDBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-4-6(9)5-2-1-3-8-5/h5,8H,1-4H2.
What are the key properties of 2-fluoro-1-pyrrolidin-2-ylethanone?
2-fluoro-1-pyrrolidin-2-ylethanone has a molecular weight of 131.15 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 45080702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).