1-(1-fluoropyrrolidin-3-yl)ethanone

C6H10FNO — CID 145353927

IUPAC1-(1-fluoropyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CCN(F)C1
InChIInChI=1S/C6H10FNO/c1-5(9)6-2-3-8(7)4-6/h6H,2-4H2,1H3
InChIKeyQHTNIVZOGCQKCW-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.78
Rot. Bonds1

About 1-(1-fluoropyrrolidin-3-yl)ethanone

1-(1-fluoropyrrolidin-3-yl)ethanone (PubChem CID 145353927) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-(1-fluoropyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-fluoropyrrolidin-3-yl)ethanone
PubChem CID145353927
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-(1-fluoropyrrolidin-3-yl)ethanone
SMILESCC(=O)C1CCN(F)C1
InChIInChI=1S/C6H10FNO/c1-5(9)6-2-3-8(7)4-6/h6H,2-4H2,1H3
InChIKeyQHTNIVZOGCQKCW-UHFFFAOYSA-N
XLogP0.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(1-fluoropyrrolidin-3-yl)ethanone (CID 145353927) is 1-(1-fluoropyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(1-fluoropyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(1-fluoropyrrolidin-3-yl)ethanone is CC(=O)C1CCN(F)C1.
What is the InChIKey of 1-(1-fluoropyrrolidin-3-yl)ethanone?
The InChIKey is QHTNIVZOGCQKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)6-2-3-8(7)4-6/h6H,2-4H2,1H3.
What are the key properties of 1-(1-fluoropyrrolidin-3-yl)ethanone?
1-(1-fluoropyrrolidin-3-yl)ethanone has a molecular weight of 131.15 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropyrrolidin-3-yl)ethanone is sourced from PubChem (CID 145353927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).