1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine

C10H17F3N2 — CID 126709994

IUPAC1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine
SMILESC/C(CN1CCNCC1)=C(\C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(9(2)10(11,12)13)7-15-5-3-14-4-6-15/h14H,3-7H2,1-2H3/b9-8-
InChIKeyKTVGNJRQRILZJB-HJWRWDBZSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds2

About 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine

1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine (PubChem CID 126709994) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine
PubChem CID126709994
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine
SMILESC/C(CN1CCNCC1)=C(\C)C(F)(F)F
InChIInChI=1S/C10H17F3N2/c1-8(9(2)10(11,12)13)7-15-5-3-14-4-6-15/h14H,3-7H2,1-2H3/b9-8-
InChIKeyKTVGNJRQRILZJB-HJWRWDBZSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine?
The IUPAC name of 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine (CID 126709994) is 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine.
What is the SMILES notation for 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine?
The canonical SMILES for 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine is C/C(CN1CCNCC1)=C(\C)C(F)(F)F.
What is the InChIKey of 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine?
The InChIKey is KTVGNJRQRILZJB-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(9(2)10(11,12)13)7-15-5-3-14-4-6-15/h14H,3-7H2,1-2H3/b9-8-.
What are the key properties of 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine?
1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4,4,4-trifluoro-2,3-dimethylbut-2-enyl]piperazine is sourced from PubChem (CID 126709994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).