3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile

C12H14F2N2O — CID 10911637

IUPAC3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile
SMILESN#CC(CF)(CF)NC(CO)c1ccccc1
InChIInChI=1S/C12H14F2N2O/c13-7-12(8-14,9-15)16-11(6-17)10-4-2-1-3-5-10/h1-5,11,16-17H,6-8H2
InChIKeyGCLOVJMAFJCMHF-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.51
Rot. Bonds6

About 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile

3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile (PubChem CID 10911637) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile
PubChem CID10911637
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile
SMILESN#CC(CF)(CF)NC(CO)c1ccccc1
InChIInChI=1S/C12H14F2N2O/c13-7-12(8-14,9-15)16-11(6-17)10-4-2-1-3-5-10/h1-5,11,16-17H,6-8H2
InChIKeyGCLOVJMAFJCMHF-UHFFFAOYSA-N
XLogP1.51
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]propanenitrile
CID 101415979
2-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]-2-propylpentanamide
CID 107863380
2-[(2-hydroxy-1-phenylethyl)amino]-3,3-dimethylbutanenitrile
CID 76810844
2-(hydroxyamino)-2-phenylethanol
CID 12782000
2-cyano-2-ethyl-N-[(1R)-2-hydroxy-1-phenylethyl]butanamide
CID 107863395
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
(2R)-2-phenyl-2-[[(2S)-1,1,1-trifluoro-2-isocyanopropan-2-yl]amino]ethanol
CID 123883586
2-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 59578769
4-[1-hydroxy-2-[(2-hydroxy-1-phenylethyl)amino]ethyl]benzonitrile
CID 63182883
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
(2S)-2-amino-2-phenylethanol;methane;(2S)-2-phenyl-2-(tritylamino)ethanol
CID 158097033
2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]prop-2-enamide
CID 167776266

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile?
The IUPAC name of 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile (CID 10911637) is 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile.
What is the SMILES notation for 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile?
The canonical SMILES for 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile is N#CC(CF)(CF)NC(CO)c1ccccc1.
What is the InChIKey of 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile?
The InChIKey is GCLOVJMAFJCMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c13-7-12(8-14,9-15)16-11(6-17)10-4-2-1-3-5-10/h1-5,11,16-17H,6-8H2.
What are the key properties of 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile?
3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile has a molecular weight of 240.25 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(fluoromethyl)-2-[(2-hydroxy-1-phenylethyl)amino]propanenitrile is sourced from PubChem (CID 10911637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).