1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine

C7H10F6N2 — CID 150456202

IUPAC1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine
SMILESCC(C)N1C(F)CN(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H10F6N2/c1-4(2)15-5(8)3-14(13)6(9,10)7(15,11)12/h4-5H,3H2,1-2H3
InChIKeyHOVKVTHJOJOCEW-UHFFFAOYSA-N
MW236.16 g/mol
LogP2.38
Rot. Bonds1

About 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine

1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine (PubChem CID 150456202) has the molecular formula C7H10F6N2 and a molecular weight of 236.16 g/mol. Its IUPAC name is 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine
PubChem CID150456202
Molecular FormulaC7H10F6N2
Molecular Weight236.16 g/mol
Exact Mass236.07
IUPAC Name1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine
SMILESCC(C)N1C(F)CN(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H10F6N2/c1-4(2)15-5(8)3-14(13)6(9,10)7(15,11)12/h4-5H,3H2,1-2H3
InChIKeyHOVKVTHJOJOCEW-UHFFFAOYSA-N
XLogP2.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.16
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine?
The IUPAC name of 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine (CID 150456202) is 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine.
What is the SMILES notation for 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine?
The canonical SMILES for 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine is CC(C)N1C(F)CN(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine?
The InChIKey is HOVKVTHJOJOCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6N2/c1-4(2)15-5(8)3-14(13)6(9,10)7(15,11)12/h4-5H,3H2,1-2H3.
What are the key properties of 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine?
1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine has a molecular weight of 236.16 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,5-hexafluoro-4-propan-2-ylpiperazine is sourced from PubChem (CID 150456202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).