1-(2,2-difluoropropanimidoyl)piperazin-2-imine

C7H12F2N4 — CID 142387115

IUPAC1-(2,2-difluoropropanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCCN1/C(=N/[H])C(C)(F)F
InChIInChI=1S/C7H12F2N4/c1-7(8,9)6(11)13-3-2-12-4-5(13)10/h10-12H,2-4H2,1H3/b10-5+,11-6+
InChIKeyLAMSRAYQPCKBHP-YOYBCKCWSA-N
MW190.20 g/mol
LogP0.50
Rot. Bonds1

About 1-(2,2-difluoropropanimidoyl)piperazin-2-imine

1-(2,2-difluoropropanimidoyl)piperazin-2-imine (PubChem CID 142387115) has the molecular formula C7H12F2N4 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(2,2-difluoropropanimidoyl)piperazin-2-imine.

Molecular Properties

Compound Name1-(2,2-difluoropropanimidoyl)piperazin-2-imine
PubChem CID142387115
Molecular FormulaC7H12F2N4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name1-(2,2-difluoropropanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCCN1/C(=N/[H])C(C)(F)F
InChIInChI=1S/C7H12F2N4/c1-7(8,9)6(11)13-3-2-12-4-5(13)10/h10-12H,2-4H2,1H3/b10-5+,11-6+
InChIKeyLAMSRAYQPCKBHP-YOYBCKCWSA-N
XLogP0.50
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropanimidoyl)piperazin-2-imine?
The IUPAC name of 1-(2,2-difluoropropanimidoyl)piperazin-2-imine (CID 142387115) is 1-(2,2-difluoropropanimidoyl)piperazin-2-imine.
What is the SMILES notation for 1-(2,2-difluoropropanimidoyl)piperazin-2-imine?
The canonical SMILES for 1-(2,2-difluoropropanimidoyl)piperazin-2-imine is [H]/N=C1\CNCCN1/C(=N/[H])C(C)(F)F.
What is the InChIKey of 1-(2,2-difluoropropanimidoyl)piperazin-2-imine?
The InChIKey is LAMSRAYQPCKBHP-YOYBCKCWSA-N. The full InChI is InChI=1S/C7H12F2N4/c1-7(8,9)6(11)13-3-2-12-4-5(13)10/h10-12H,2-4H2,1H3/b10-5+,11-6+.
What are the key properties of 1-(2,2-difluoropropanimidoyl)piperazin-2-imine?
1-(2,2-difluoropropanimidoyl)piperazin-2-imine has a molecular weight of 190.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropanimidoyl)piperazin-2-imine is sourced from PubChem (CID 142387115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).