(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine

C12H16F3N3 — CID 66510325

IUPAC(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
SMILESN[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1
InChIKeyBLTWRQQEZHGUQI-LLVKDONJSA-N
MW259.28 g/mol
LogP1.66
Rot. Bonds2

About (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine

(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine (PubChem CID 66510325) has the molecular formula C12H16F3N3 and a molecular weight of 259.28 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
PubChem CID66510325
Molecular FormulaC12H16F3N3
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Name(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine
SMILESN[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F
InChIInChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1
InChIKeyBLTWRQQEZHGUQI-LLVKDONJSA-N
XLogP1.66
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine (CID 66510325) is (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine is N[C@H](c1cccc(N2CCNCC2)c1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
The InChIKey is BLTWRQQEZHGUQI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)11(16)9-2-1-3-10(8-9)18-6-4-17-5-7-18/h1-3,8,11,17H,4-7,16H2/t11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine?
(1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine has a molecular weight of 259.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(3-piperazin-1-ylphenyl)ethanamine is sourced from PubChem (CID 66510325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).