1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

C7H11F3N2 — CID 175625600

IUPAC1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(7(8,9)10)12-4-2-11-3-5-12/h11H,1-5H2
InChIKeySADAAPGXVCGUQH-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.97
Rot. Bonds1

About 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine

1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (PubChem CID 175625600) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
PubChem CID175625600
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
SMILESC=C(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-6(7(8,9)10)12-4-2-11-3-5-12/h11H,1-5H2
InChIKeySADAAPGXVCGUQH-UHFFFAOYSA-N
XLogP0.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The IUPAC name of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine (CID 175625600) is 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine.
What is the SMILES notation for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The canonical SMILES for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is C=C(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
The InChIKey is SADAAPGXVCGUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-6(7(8,9)10)12-4-2-11-3-5-12/h11H,1-5H2.
What are the key properties of 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine?
1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine has a molecular weight of 180.17 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoroprop-1-en-2-yl)piperazine is sourced from PubChem (CID 175625600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).