2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one

C8H14F2N2O2 — CID 121299282

IUPAC2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
SMILESCOCC(F)(F)C(=O)N1CCNCC1
InChIInChI=1S/C8H14F2N2O2/c1-14-6-8(9,10)7(13)12-4-2-11-3-5-12/h11H,2-6H2,1H3
InChIKeySHHKVENKDXEIDY-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.30
Rot. Bonds3

About 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one

2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one (PubChem CID 121299282) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
PubChem CID121299282
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one
SMILESCOCC(F)(F)C(=O)N1CCNCC1
InChIInChI=1S/C8H14F2N2O2/c1-14-6-8(9,10)7(13)12-4-2-11-3-5-12/h11H,2-6H2,1H3
InChIKeySHHKVENKDXEIDY-UHFFFAOYSA-N
XLogP-0.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one (CID 121299282) is 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one is COCC(F)(F)C(=O)N1CCNCC1.
What is the InChIKey of 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one?
The InChIKey is SHHKVENKDXEIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-14-6-8(9,10)7(13)12-4-2-11-3-5-12/h11H,2-6H2,1H3.
What are the key properties of 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one?
2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one has a molecular weight of 208.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxy-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 121299282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).