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

C10H17F3N2 — CID 166844201

IUPAC1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
SMILESC=C(CC(F)(F)F)N1CCN(CC)CC1
InChIInChI=1S/C10H17F3N2/c1-3-14-4-6-15(7-5-14)9(2)8-10(11,12)13/h2-8H2,1H3
InChIKeyMXPWOINOEVRLFU-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.09
Rot. Bonds3

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

1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine (PubChem CID 166844201) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine.

Molecular Properties

Compound Name1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
PubChem CID166844201
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine
SMILESC=C(CC(F)(F)F)N1CCN(CC)CC1
InChIInChI=1S/C10H17F3N2/c1-3-14-4-6-15(7-5-14)9(2)8-10(11,12)13/h2-8H2,1H3
InChIKeyMXPWOINOEVRLFU-UHFFFAOYSA-N
XLogP2.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The IUPAC name of 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine (CID 166844201) is 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine.
What is the SMILES notation for 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The canonical SMILES for 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine is C=C(CC(F)(F)F)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
The InChIKey is MXPWOINOEVRLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-3-14-4-6-15(7-5-14)9(2)8-10(11,12)13/h2-8H2,1H3.
What are the key properties of 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine?
1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine has a molecular weight of 222.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4,4,4-trifluorobut-1-en-2-yl)piperazine is sourced from PubChem (CID 166844201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).