1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine

C11H19F3N2 — CID 166844199

IUPAC1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
SMILESC=C(CC(F)(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H19F3N2/c1-9(2)15-4-6-16(7-5-15)10(3)8-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyGJMQLLTUMDRKNI-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.48
Rot. Bonds3

About 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine

1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine (PubChem CID 166844199) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
PubChem CID166844199
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
SMILESC=C(CC(F)(F)F)N1CCN(C(C)C)CC1
InChIInChI=1S/C11H19F3N2/c1-9(2)15-4-6-16(7-5-15)10(3)8-11(12,13)14/h9H,3-8H2,1-2H3
InChIKeyGJMQLLTUMDRKNI-UHFFFAOYSA-N
XLogP2.48
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine (CID 166844199) is 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine is C=C(CC(F)(F)F)N1CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The InChIKey is GJMQLLTUMDRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-9(2)15-4-6-16(7-5-15)10(3)8-11(12,13)14/h9H,3-8H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine has a molecular weight of 236.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine is sourced from PubChem (CID 166844199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).