2-fluoro-1-(1-methylpiperazin-2-yl)ethanone

C7H13FN2O — CID 88635079

IUPAC2-fluoro-1-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1C(=O)CF
InChIInChI=1S/C7H13FN2O/c1-10-3-2-9-5-6(10)7(11)4-8/h6,9H,2-5H2,1H3
InChIKeyMZNQSVMDFYJKDO-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.57
Rot. Bonds2

About 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone

2-fluoro-1-(1-methylpiperazin-2-yl)ethanone (PubChem CID 88635079) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name2-fluoro-1-(1-methylpiperazin-2-yl)ethanone
PubChem CID88635079
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-fluoro-1-(1-methylpiperazin-2-yl)ethanone
SMILESCN1CCNCC1C(=O)CF
InChIInChI=1S/C7H13FN2O/c1-10-3-2-9-5-6(10)7(11)4-8/h6,9H,2-5H2,1H3
InChIKeyMZNQSVMDFYJKDO-UHFFFAOYSA-N
XLogP-0.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone?
The IUPAC name of 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone (CID 88635079) is 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone.
What is the SMILES notation for 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone?
The canonical SMILES for 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone is CN1CCNCC1C(=O)CF.
What is the InChIKey of 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone?
The InChIKey is MZNQSVMDFYJKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-10-3-2-9-5-6(10)7(11)4-8/h6,9H,2-5H2,1H3.
What are the key properties of 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone?
2-fluoro-1-(1-methylpiperazin-2-yl)ethanone has a molecular weight of 160.19 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(1-methylpiperazin-2-yl)ethanone is sourced from PubChem (CID 88635079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).