1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine

C10H12F4N2 — CID 87668495

IUPAC1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
SMILESFC1(F)C=CC=C(N2CCNCC2)C1(F)F
InChIInChI=1S/C10H12F4N2/c11-9(12)3-1-2-8(10(9,13)14)16-6-4-15-5-7-16/h1-3,15H,4-7H2
InChIKeyXIHBIYCEYLRJKR-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.62
Rot. Bonds1

About 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine

1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine (PubChem CID 87668495) has the molecular formula C10H12F4N2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine.

Molecular Properties

Compound Name1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
PubChem CID87668495
Molecular FormulaC10H12F4N2
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine
SMILESFC1(F)C=CC=C(N2CCNCC2)C1(F)F
InChIInChI=1S/C10H12F4N2/c11-9(12)3-1-2-8(10(9,13)14)16-6-4-15-5-7-16/h1-3,15H,4-7H2
InChIKeyXIHBIYCEYLRJKR-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine?
The IUPAC name of 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine (CID 87668495) is 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine.
What is the SMILES notation for 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine?
The canonical SMILES for 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine is FC1(F)C=CC=C(N2CCNCC2)C1(F)F.
What is the InChIKey of 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine?
The InChIKey is XIHBIYCEYLRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F4N2/c11-9(12)3-1-2-8(10(9,13)14)16-6-4-15-5-7-16/h1-3,15H,4-7H2.
What are the key properties of 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine?
1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine has a molecular weight of 236.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)piperazine is sourced from PubChem (CID 87668495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).