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

C9H14F4N2 — CID 134534123

IUPAC1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
SMILESCCN1CCN(/C(F)=C/C(F)(F)F)CC1
InChIInChI=1S/C9H14F4N2/c1-2-14-3-5-15(6-4-14)8(10)7-9(11,12)13/h7H,2-6H2,1H3/b8-7+
InChIKeyOYAMLYCVDWNFRV-BQYQJAHWSA-N
MW226.22 g/mol
LogP2.00
Rot. Bonds2

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

1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine (PubChem CID 134534123) has the molecular formula C9H14F4N2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
PubChem CID134534123
Molecular FormulaC9H14F4N2
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine
SMILESCCN1CCN(/C(F)=C/C(F)(F)F)CC1
InChIInChI=1S/C9H14F4N2/c1-2-14-3-5-15(6-4-14)8(10)7-9(11,12)13/h7H,2-6H2,1H3/b8-7+
InChIKeyOYAMLYCVDWNFRV-BQYQJAHWSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.00
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-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The IUPAC name of 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine (CID 134534123) is 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine is CCN1CCN(/C(F)=C/C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
The InChIKey is OYAMLYCVDWNFRV-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H14F4N2/c1-2-14-3-5-15(6-4-14)8(10)7-9(11,12)13/h7H,2-6H2,1H3/b8-7+.
What are the key properties of 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine?
1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine has a molecular weight of 226.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]piperazine is sourced from PubChem (CID 134534123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).