1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine

C8H14F2N2 — CID 129207808

IUPAC1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine
SMILESC=C(F)C(F)N1CCN(C)CC1
InChIInChI=1S/C8H14F2N2/c1-7(9)8(10)12-5-3-11(2)4-6-12/h8H,1,3-6H2,2H3
InChIKeyUYQGIGJIVIOEPN-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.01
Rot. Bonds2

About 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine

1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine (PubChem CID 129207808) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine
PubChem CID129207808
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine
SMILESC=C(F)C(F)N1CCN(C)CC1
InChIInChI=1S/C8H14F2N2/c1-7(9)8(10)12-5-3-11(2)4-6-12/h8H,1,3-6H2,2H3
InChIKeyUYQGIGJIVIOEPN-UHFFFAOYSA-N
XLogP1.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.01
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-methylpiperazine?
The IUPAC name of 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine (CID 129207808) is 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine is C=C(F)C(F)N1CCN(C)CC1.
What is the InChIKey of 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine?
The InChIKey is UYQGIGJIVIOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-7(9)8(10)12-5-3-11(2)4-6-12/h8H,1,3-6H2,2H3.
What are the key properties of 1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine?
1-(1,2-difluoroprop-2-enyl)-4-methylpiperazine has a molecular weight of 176.21 g/mol, XLogP of 1.01, 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-methylpiperazine is sourced from PubChem (CID 129207808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).