2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine

C14H20F3N3 — CID 63784808

IUPAC2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine
SMILESNCCc1ccccc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-4-2-1-3-12(13)5-6-18/h1-4H,5-11,18H2
InChIKeyNOZSNMXDSUSQQU-UHFFFAOYSA-N
MW287.33 g/mol
LogP1.87
Rot. Bonds4

About 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine

2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine (PubChem CID 63784808) has the molecular formula C14H20F3N3 and a molecular weight of 287.33 g/mol. Its IUPAC name is 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine
PubChem CID63784808
Molecular FormulaC14H20F3N3
Molecular Weight287.33 g/mol
Exact Mass287.16
IUPAC Name2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine
SMILESNCCc1ccccc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-4-2-1-3-12(13)5-6-18/h1-4H,5-11,18H2
InChIKeyNOZSNMXDSUSQQU-UHFFFAOYSA-N
XLogP1.87
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine?
The IUPAC name of 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine (CID 63784808) is 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine is NCCc1ccccc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine?
The InChIKey is NOZSNMXDSUSQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3/c15-14(16,17)11-19-7-9-20(10-8-19)13-4-2-1-3-12(13)5-6-18/h1-4H,5-11,18H2.
What are the key properties of 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine?
2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine has a molecular weight of 287.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanamine is sourced from PubChem (CID 63784808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).