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

C11H11F3N2O — CID 101415979

IUPAC3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
SMILESN#CC(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-RGURZIINSA-N
MW244.22 g/mol
LogP1.76
Rot. Bonds4

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

3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile (PubChem CID 101415979) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
PubChem CID101415979
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
SMILESN#CC(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-RGURZIINSA-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

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

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile
CID 10911637
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2R)-2-cuban-1-yl-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 155936560
(2R)-2-(3-tert-butyl-1-bicyclo[1.1.1]pentanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 16663747
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(1-methylcyclopentyl)acetonitrile
CID 102325450
(2S)-2-phenyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]ethanol
CID 111521938
2-(2-adamantyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetonitrile
CID 174731347
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-(hydroxyamino)-2-phenylethanol
CID 12782000
3,3-difluoro-3-(4-iodophenyl)-2-[(2-methoxy-1-phenylethyl)amino]propanenitrile
CID 135175387

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The IUPAC name of 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile (CID 101415979) is 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile is N#CC(N[C@@H](CO)c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
The InChIKey is ZJLNIPILOVUYDU-RGURZIINSA-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 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile?
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 3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile is sourced from PubChem (CID 101415979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).