2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone

C9H17F2N3O — CID 61018687

IUPAC2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(F)F
InChIInChI=1S/C9H17F2N3O/c1-13(6-8(10)11)7-9(15)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3
InChIKeyYJQUTDBHFCQSGM-UHFFFAOYSA-N
MW221.25 g/mol
LogP-0.38
Rot. Bonds4

About 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone

2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61018687) has the molecular formula C9H17F2N3O and a molecular weight of 221.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone
PubChem CID61018687
Molecular FormulaC9H17F2N3O
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC(F)F
InChIInChI=1S/C9H17F2N3O/c1-13(6-8(10)11)7-9(15)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3
InChIKeyYJQUTDBHFCQSGM-UHFFFAOYSA-N
XLogP-0.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone (CID 61018687) is 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is YJQUTDBHFCQSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3O/c1-13(6-8(10)11)7-9(15)14-4-2-12-3-5-14/h8,12H,2-7H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone?
2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 221.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(methyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61018687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).