1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine

C8H14F2N2 — CID 134530506

IUPAC1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine
SMILESCC(=C(F)F)N1CCN(C)CC1
InChIInChI=1S/C8H14F2N2/c1-7(8(9)10)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyMNVKFJZPSQFWNZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP1.36
Rot. Bonds1

About 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine

1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine (PubChem CID 134530506) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine
PubChem CID134530506
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine
SMILESCC(=C(F)F)N1CCN(C)CC1
InChIInChI=1S/C8H14F2N2/c1-7(8(9)10)12-5-3-11(2)4-6-12/h3-6H2,1-2H3
InChIKeyMNVKFJZPSQFWNZ-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine?
The IUPAC name of 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine (CID 134530506) is 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine is CC(=C(F)F)N1CCN(C)CC1.
What is the InChIKey of 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine?
The InChIKey is MNVKFJZPSQFWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-7(8(9)10)12-5-3-11(2)4-6-12/h3-6H2,1-2H3.
What are the key properties of 1-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine?
1-(1,1-difluoroprop-1-en-2-yl)-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-(1,1-difluoroprop-1-en-2-yl)-4-methylpiperazine is sourced from PubChem (CID 134530506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).