(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile

C12H16FNOSi — CID 11172442

IUPAC(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/t12-/m0/s1
InChIKeyQQTRPUFVAWOKNG-LBPRGKRZSA-N
MW237.35 g/mol
LogP3.42
Rot. Bonds3

About (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile

(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile (PubChem CID 11172442) has the molecular formula C12H16FNOSi and a molecular weight of 237.35 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
PubChem CID11172442
Molecular FormulaC12H16FNOSi
Molecular Weight237.35 g/mol
Exact Mass237.10
IUPAC Name(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
SMILESC[C@@](C#N)(O[Si](C)(C)C)c1ccccc1F
InChIInChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/t12-/m0/s1
InChIKeyQQTRPUFVAWOKNG-LBPRGKRZSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The IUPAC name of (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile (CID 11172442) is (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile is C[C@@](C#N)(O[Si](C)(C)C)c1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
The InChIKey is QQTRPUFVAWOKNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16FNOSi/c1-12(9-14,15-16(2,3)4)10-7-5-6-8-11(10)13/h5-8H,1-4H3/t12-/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile?
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile has a molecular weight of 237.35 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile is sourced from PubChem (CID 11172442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).