(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile

C10H10FNO — CID 23234205

IUPAC(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile
SMILESC[C@@](O)(C#N)[C@H](F)c1ccccc1
InChIInChI=1S/C10H10FNO/c1-10(13,7-12)9(11)8-5-3-2-4-6-8/h2-6,9,13H,1H3/t9-,10-/m1/s1
InChIKeyGWNFJJPPGHWFJH-NXEZZACHSA-N
MW179.19 g/mol
LogP1.97
Rot. Bonds2

About (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile

(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile (PubChem CID 23234205) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile.

Molecular Properties

Compound Name(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile
PubChem CID23234205
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile
SMILESC[C@@](O)(C#N)[C@H](F)c1ccccc1
InChIInChI=1S/C10H10FNO/c1-10(13,7-12)9(11)8-5-3-2-4-6-8/h2-6,9,13H,1H3/t9-,10-/m1/s1
InChIKeyGWNFJJPPGHWFJH-NXEZZACHSA-N
XLogP1.97
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile?
The IUPAC name of (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile (CID 23234205) is (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile.
What is the SMILES notation for (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile?
The canonical SMILES for (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile is C[C@@](O)(C#N)[C@H](F)c1ccccc1.
What is the InChIKey of (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile?
The InChIKey is GWNFJJPPGHWFJH-NXEZZACHSA-N. The full InChI is InChI=1S/C10H10FNO/c1-10(13,7-12)9(11)8-5-3-2-4-6-8/h2-6,9,13H,1H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile?
(2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile has a molecular weight of 179.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-fluoro-2-hydroxy-2-methyl-3-phenylpropanenitrile is sourced from PubChem (CID 23234205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).