2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine

C10H18F3N3 — CID 103070424

IUPAC2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h1-8,14H2
InChIKeyUETSUAUVKGVYHC-UHFFFAOYSA-N
MW237.27 g/mol
LogP0.68
Rot. Bonds4

About 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine

2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (PubChem CID 103070424) has the molecular formula C10H18F3N3 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
PubChem CID103070424
Molecular FormulaC10H18F3N3
Molecular Weight237.27 g/mol
Exact Mass237.15
IUPAC Name2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine
SMILESC=C(CN)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H18F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h1-8,14H2
InChIKeyUETSUAUVKGVYHC-UHFFFAOYSA-N
XLogP0.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The IUPAC name of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine (CID 103070424) is 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The canonical SMILES for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is C=C(CN)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
The InChIKey is UETSUAUVKGVYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3/c1-9(6-14)7-15-2-4-16(5-3-15)8-10(11,12)13/h1-8,14H2.
What are the key properties of 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine?
2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine has a molecular weight of 237.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).