1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine

C8H14F2N2 — CID 174357861

IUPAC1-[(E)-1,2-difluoroprop-1-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/h3-6H2,1-2H3/b8-7-
InChIKeyCYOAYAUDULADRH-FPLPWBNLSA-N
MW176.21 g/mol
LogP1.36
Rot. Bonds1

About 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine

1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine (PubChem CID 174357861) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine
PubChem CID174357861
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-[(E)-1,2-difluoroprop-1-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/h3-6H2,1-2H3/b8-7-
InChIKeyCYOAYAUDULADRH-FPLPWBNLSA-N
XLogP1.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 51.36
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-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine?
The IUPAC name of 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine (CID 174357861) is 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine?
The canonical SMILES for 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine is C/C(F)=C(\F)N1CCN(C)CC1.
What is the InChIKey of 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine?
The InChIKey is CYOAYAUDULADRH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-7(9)8(10)12-5-3-11(2)4-6-12/h3-6H2,1-2H3/b8-7-.
What are the key properties of 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine?
1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine has a molecular weight of 176.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoroprop-1-enyl]-4-methylpiperazine is sourced from PubChem (CID 174357861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).