(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine

C5H5F3N2O — CID 172639106

IUPAC(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine
SMILESN[C@H](c1ccon1)C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4(9)3-1-2-11-10-3/h1-2,4H,9H2/t4-/m1/s1
InChIKeyJCLSRDKSMQGVGN-SCSAIBSYSA-N
MW166.10 g/mol
LogP1.24
Rot. Bonds1

About (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine

(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine (PubChem CID 172639106) has the molecular formula C5H5F3N2O and a molecular weight of 166.10 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine
PubChem CID172639106
Molecular FormulaC5H5F3N2O
Molecular Weight166.10 g/mol
Exact Mass166.04
IUPAC Name(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine
SMILESN[C@H](c1ccon1)C(F)(F)F
InChIInChI=1S/C5H5F3N2O/c6-5(7,8)4(9)3-1-2-11-10-3/h1-2,4H,9H2/t4-/m1/s1
InChIKeyJCLSRDKSMQGVGN-SCSAIBSYSA-N
XLogP1.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine (CID 172639106) is (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine is N[C@H](c1ccon1)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine?
The InChIKey is JCLSRDKSMQGVGN-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H5F3N2O/c6-5(7,8)4(9)3-1-2-11-10-3/h1-2,4H,9H2/t4-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine has a molecular weight of 166.10 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(1,2-oxazol-3-yl)ethanamine is sourced from PubChem (CID 172639106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).