1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone

C7H12FNO — CID 170181596

IUPAC1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1(F)CCN(C)C1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)3-4-9(2)5-7/h3-5H2,1-2H3
InChIKeyBTLQYNRCYFUPHI-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds1

About 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone

1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone (PubChem CID 170181596) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone
PubChem CID170181596
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone
SMILESCC(=O)C1(F)CCN(C)C1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)3-4-9(2)5-7/h3-5H2,1-2H3
InChIKeyBTLQYNRCYFUPHI-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone (CID 170181596) is 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone is CC(=O)C1(F)CCN(C)C1.
What is the InChIKey of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone?
The InChIKey is BTLQYNRCYFUPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)7(8)3-4-9(2)5-7/h3-5H2,1-2H3.
What are the key properties of 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone?
1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone has a molecular weight of 145.18 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-1-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 170181596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).