(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine

C12H10F3N3 — CID 66511571

IUPAC(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine
SMILESN[C@@H](c1ccccc1-c1cncnc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11(16)10-4-2-1-3-9(10)8-5-17-7-18-6-8/h1-7,11H,16H2/t11-/m0/s1
InChIKeyXMXYBLXQKSWRBT-NSHDSACASA-N
MW253.23 g/mol
LogP2.71
Rot. Bonds2

About (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine

(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine (PubChem CID 66511571) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine
PubChem CID66511571
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine
SMILESN[C@@H](c1ccccc1-c1cncnc1)C(F)(F)F
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11(16)10-4-2-1-3-9(10)8-5-17-7-18-6-8/h1-7,11H,16H2/t11-/m0/s1
InChIKeyXMXYBLXQKSWRBT-NSHDSACASA-N
XLogP2.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine (CID 66511571) is (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine is N[C@@H](c1ccccc1-c1cncnc1)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine?
The InChIKey is XMXYBLXQKSWRBT-NSHDSACASA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)11(16)10-4-2-1-3-9(10)8-5-17-7-18-6-8/h1-7,11H,16H2/t11-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine?
(1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine has a molecular weight of 253.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(2-pyrimidin-5-ylphenyl)ethanamine is sourced from PubChem (CID 66511571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).