2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride

C11H21Cl2F4N3O — CID 119887927

IUPAC2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(CC(F)(F)C(F)F)CC1.Cl.Cl
InChIInChI=1S/C11H19F4N3O.2ClH/c1-10(2,16)9(19)18-5-3-17(4-6-18)7-11(14,15)8(12)13;;/h8H,3-7,16H2,1-2H3;2*1H
InChIKeyJYDNGSVXDMCIAA-UHFFFAOYSA-N
MW358.21 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride

2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119887927) has the molecular formula C11H21Cl2F4N3O and a molecular weight of 358.21 g/mol. Its IUPAC name is 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
PubChem CID119887927
Molecular FormulaC11H21Cl2F4N3O
Molecular Weight358.21 g/mol
Exact Mass357.10
IUPAC Name2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride
SMILESCC(C)(N)C(=O)N1CCN(CC(F)(F)C(F)F)CC1.Cl.Cl
InChIInChI=1S/C11H19F4N3O.2ClH/c1-10(2,16)9(19)18-5-3-17(4-6-18)7-11(14,15)8(12)13;;/h8H,3-7,16H2,1-2H3;2*1H
InChIKeyJYDNGSVXDMCIAA-UHFFFAOYSA-N
XLogP1.61
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride (CID 119887927) is 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride is CC(C)(N)C(=O)N1CCN(CC(F)(F)C(F)F)CC1.Cl.Cl.
What is the InChIKey of 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is JYDNGSVXDMCIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4N3O.2ClH/c1-10(2,16)9(19)18-5-3-17(4-6-18)7-11(14,15)8(12)13;;/h8H,3-7,16H2,1-2H3;2*1H.
What are the key properties of 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride?
2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 358.21 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119887927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).