2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile

C10H11FN2O — CID 55274776

IUPAC2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile
SMILESC[C@@](N)(CO)c1cccc(F)c1C#N
InChIInChI=1S/C10H11FN2O/c1-10(13,6-14)8-3-2-4-9(11)7(8)5-12/h2-4,14H,6,13H2,1H3/t10-/m1/s1
InChIKeyKYBFFSWULYHQOR-SNVBAGLBSA-N
MW194.21 g/mol
LogP0.86
Rot. Bonds2

About 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile

2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile (PubChem CID 55274776) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile
PubChem CID55274776
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile
SMILESC[C@@](N)(CO)c1cccc(F)c1C#N
InChIInChI=1S/C10H11FN2O/c1-10(13,6-14)8-3-2-4-9(11)7(8)5-12/h2-4,14H,6,13H2,1H3/t10-/m1/s1
InChIKeyKYBFFSWULYHQOR-SNVBAGLBSA-N
XLogP0.86
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-amino-N-(2-cyano-3-fluorophenyl)-2-methylpropanamide
CID 61264990
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-[[tert-butyl(methyl)amino]methyl]-6-fluorobenzonitrile
CID 134586202
(2S)-2-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 131076413
2-amino-2-(2-fluoro-3-pyridinyl)propan-1-ol
CID 55282307
2-fluoro-6-[(1-hydroxy-3-methylpentan-3-yl)amino]benzonitrile
CID 103768337
2-amino-2-[2-(hydroxymethyl)phenyl]propan-1-ol
CID 55293123
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
2-fluoro-6-(2-methylbutan-2-yloxy)benzonitrile
CID 79513130

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile (CID 55274776) is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile is C[C@@](N)(CO)c1cccc(F)c1C#N.
What is the InChIKey of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile?
The InChIKey is KYBFFSWULYHQOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-10(13,6-14)8-3-2-4-9(11)7(8)5-12/h2-4,14H,6,13H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile?
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile has a molecular weight of 194.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 55274776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).