1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine

C8H12F4N2 — CID 129271421

IUPAC1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
SMILESCN1CCN(/C(F)=C/C(F)(F)F)CC1
InChIInChI=1S/C8H12F4N2/c1-13-2-4-14(5-3-13)7(9)6-8(10,11)12/h6H,2-5H2,1H3/b7-6+
InChIKeyNGQPSKSVUUSJTN-VOTSOKGWSA-N
MW212.19 g/mol
LogP1.61
Rot. Bonds1

About 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine

1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine (PubChem CID 129271421) has the molecular formula C8H12F4N2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
PubChem CID129271421
Molecular FormulaC8H12F4N2
Molecular Weight212.19 g/mol
Exact Mass212.09
IUPAC Name1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
SMILESCN1CCN(/C(F)=C/C(F)(F)F)CC1
InChIInChI=1S/C8H12F4N2/c1-13-2-4-14(5-3-13)7(9)6-8(10,11)12/h6H,2-5H2,1H3/b7-6+
InChIKeyNGQPSKSVUUSJTN-VOTSOKGWSA-N
XLogP1.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The IUPAC name of 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine (CID 129271421) is 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The canonical SMILES for 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine is CN1CCN(/C(F)=C/C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The InChIKey is NGQPSKSVUUSJTN-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H12F4N2/c1-13-2-4-14(5-3-13)7(9)6-8(10,11)12/h6H,2-5H2,1H3/b7-6+.
What are the key properties of 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine has a molecular weight of 212.19 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine is sourced from PubChem (CID 129271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).