1-(difluoromethyl)piperazine;guanidine

C6H15F2N5 — CID 69180959

IUPAC1-(difluoromethyl)piperazine;guanidine
SMILESFC(F)N1CCNCC1.[H]N=C(N)N
InChIInChI=1S/C5H10F2N2.CH5N3/c6-5(7)9-3-1-8-2-4-9;2-1(3)4/h5,8H,1-4H2;(H5,2,3,4)
InChIKeyMAPNTJONVMEAST-UHFFFAOYSA-N
MW195.22 g/mol
LogP-1.05
Rot. Bonds1

About 1-(difluoromethyl)piperazine;guanidine

1-(difluoromethyl)piperazine;guanidine (PubChem CID 69180959) has the molecular formula C6H15F2N5 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(difluoromethyl)piperazine;guanidine.

Molecular Properties

Compound Name1-(difluoromethyl)piperazine;guanidine
PubChem CID69180959
Molecular FormulaC6H15F2N5
Molecular Weight195.22 g/mol
Exact Mass195.13
IUPAC Name1-(difluoromethyl)piperazine;guanidine
SMILESFC(F)N1CCNCC1.[H]N=C(N)N
InChIInChI=1S/C5H10F2N2.CH5N3/c6-5(7)9-3-1-8-2-4-9;2-1(3)4/h5,8H,1-4H2;(H5,2,3,4)
InChIKeyMAPNTJONVMEAST-UHFFFAOYSA-N
XLogP-1.05
TPSA91.16 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)piperazine;guanidine?
The IUPAC name of 1-(difluoromethyl)piperazine;guanidine (CID 69180959) is 1-(difluoromethyl)piperazine;guanidine.
What is the SMILES notation for 1-(difluoromethyl)piperazine;guanidine?
The canonical SMILES for 1-(difluoromethyl)piperazine;guanidine is FC(F)N1CCNCC1.[H]N=C(N)N.
What is the InChIKey of 1-(difluoromethyl)piperazine;guanidine?
The InChIKey is MAPNTJONVMEAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2.CH5N3/c6-5(7)9-3-1-8-2-4-9;2-1(3)4/h5,8H,1-4H2;(H5,2,3,4).
What are the key properties of 1-(difluoromethyl)piperazine;guanidine?
1-(difluoromethyl)piperazine;guanidine has a molecular weight of 195.22 g/mol, XLogP of -1.05, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)piperazine;guanidine is sourced from PubChem (CID 69180959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).