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

C9H14F4N2 — CID 129207765

IUPAC1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
SMILESC=C(F)C(N1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C9H14F4N2/c1-7(10)8(9(11,12)13)15-5-3-14(2)4-6-15/h8H,1,3-6H2,2H3
InChIKeyKOMDTALBNWQRHM-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.65
Rot. Bonds2

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

1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine (PubChem CID 129207765) has the molecular formula C9H14F4N2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
PubChem CID129207765
Molecular FormulaC9H14F4N2
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC Name1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
SMILESC=C(F)C(N1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C9H14F4N2/c1-7(10)8(9(11,12)13)15-5-3-14(2)4-6-15/h8H,1,3-6H2,2H3
InChIKeyKOMDTALBNWQRHM-UHFFFAOYSA-N
XLogP1.65
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine?
The IUPAC name of 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine (CID 129207765) is 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine?
The canonical SMILES for 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine is C=C(F)C(N1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine?
The InChIKey is KOMDTALBNWQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2/c1-7(10)8(9(11,12)13)15-5-3-14(2)4-6-15/h8H,1,3-6H2,2H3.
What are the key properties of 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine?
1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine has a molecular weight of 226.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine is sourced from PubChem (CID 129207765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).