1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine

C8H11F5N2 — CID 129207747

IUPAC1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine
SMILESCN1CCN(C(=C(F)F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2/c1-14-2-4-15(5-3-14)6(7(9)10)8(11,12)13/h2-5H2,1H3
InChIKeyKBCVLMYCWDMKDG-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.90
Rot. Bonds1

About 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine

1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine (PubChem CID 129207747) has the molecular formula C8H11F5N2 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine
PubChem CID129207747
Molecular FormulaC8H11F5N2
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine
SMILESCN1CCN(C(=C(F)F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2/c1-14-2-4-15(5-3-14)6(7(9)10)8(11,12)13/h2-5H2,1H3
InChIKeyKBCVLMYCWDMKDG-UHFFFAOYSA-N
XLogP1.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine (CID 129207747) is 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine is CN1CCN(C(=C(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine?
The InChIKey is KBCVLMYCWDMKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2/c1-14-2-4-15(5-3-14)6(7(9)10)8(11,12)13/h2-5H2,1H3.
What are the key properties of 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine?
1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine has a molecular weight of 230.18 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine is sourced from PubChem (CID 129207747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).