1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine

C8H13F3N2 — CID 146426188

IUPAC1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine
SMILESC=C(F)C(C)(F)N1CCN(F)CC1
InChIInChI=1S/C8H13F3N2/c1-7(9)8(2,10)12-3-5-13(11)6-4-12/h1,3-6H2,2H3
InChIKeyAPAUYAIOCQHQRV-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.66
Rot. Bonds2

About 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine

1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine (PubChem CID 146426188) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine.

Molecular Properties

Compound Name1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine
PubChem CID146426188
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine
SMILESC=C(F)C(C)(F)N1CCN(F)CC1
InChIInChI=1S/C8H13F3N2/c1-7(9)8(2,10)12-3-5-13(11)6-4-12/h1,3-6H2,2H3
InChIKeyAPAUYAIOCQHQRV-UHFFFAOYSA-N
XLogP1.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine?
The IUPAC name of 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine (CID 146426188) is 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine.
What is the SMILES notation for 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine?
The canonical SMILES for 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine is C=C(F)C(C)(F)N1CCN(F)CC1.
What is the InChIKey of 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine?
The InChIKey is APAUYAIOCQHQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-7(9)8(2,10)12-3-5-13(11)6-4-12/h1,3-6H2,2H3.
What are the key properties of 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine?
1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine has a molecular weight of 194.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorobut-3-en-2-yl)-4-fluoropiperazine is sourced from PubChem (CID 146426188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).