1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine

C8H11F5N2 — CID 129207791

IUPAC1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h7H,1-5H2
InChIKeyYLETZYWLEVNTTC-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.90
Rot. Bonds2

About 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine

1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine (PubChem CID 129207791) has the molecular formula C8H11F5N2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
PubChem CID129207791
Molecular FormulaC8H11F5N2
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h7H,1-5H2
InChIKeyYLETZYWLEVNTTC-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.90
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-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine (CID 129207791) is 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine is C=C(F)C(F)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine?
The InChIKey is YLETZYWLEVNTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2/c1-6(9)7(10)14-2-4-15(5-3-14)8(11,12)13/h7H,1-5H2.
What are the key properties of 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine?
1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine has a molecular weight of 230.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 129207791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).