(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile

C11H11F3N2O — CID 11368534

IUPAC(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
SMILESN#C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(6-15)16-9(7-17)8-4-2-1-3-5-8/h1-5,9-10,16-17H,7H2/t9-,10+/m0/s1
InChIKeyZJLNIPILOVUYDU-VHSXEESVSA-N
MW244.22 g/mol
LogP1.76
Rot. Bonds4

About (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile

(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile (PubChem CID 11368534) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
PubChem CID11368534
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
SMILESN#C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(6-15)16-9(7-17)8-4-2-1-3-5-8/h1-5,9-10,16-17H,7H2/t9-,10+/m0/s1
InChIKeyZJLNIPILOVUYDU-VHSXEESVSA-N
XLogP1.76
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The IUPAC name of (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile (CID 11368534) is (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile is N#C[C@@H](N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The InChIKey is ZJLNIPILOVUYDU-VHSXEESVSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(6-15)16-9(7-17)8-4-2-1-3-5-8/h1-5,9-10,16-17H,7H2/t9-,10+/m0/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
(2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile has a molecular weight of 244.22 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile is sourced from PubChem (CID 11368534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).