(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid

C12H14FNO3Si — CID 146163104

IUPAC(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid
SMILESC[Si](C)(C)O[C@](C#N)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3Si/c1-18(2,3)17-12(8-14,11(15)16)9-4-6-10(13)7-5-9/h4-7H,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyOTFPORCOHKZICQ-LBPRGKRZSA-N
MW267.33 g/mol
LogP2.48
Rot. Bonds4

About (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid

(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid (PubChem CID 146163104) has the molecular formula C12H14FNO3Si and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid.

Molecular Properties

Compound Name(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid
PubChem CID146163104
Molecular FormulaC12H14FNO3Si
Molecular Weight267.33 g/mol
Exact Mass267.07
IUPAC Name(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid
SMILESC[Si](C)(C)O[C@](C#N)(C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO3Si/c1-18(2,3)17-12(8-14,11(15)16)9-4-6-10(13)7-5-9/h4-7H,1-3H3,(H,15,16)/t12-/m0/s1
InChIKeyOTFPORCOHKZICQ-LBPRGKRZSA-N
XLogP2.48
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid?
The IUPAC name of (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid (CID 146163104) is (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid.
What is the SMILES notation for (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid?
The canonical SMILES for (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid is C[Si](C)(C)O[C@](C#N)(C(=O)O)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid?
The InChIKey is OTFPORCOHKZICQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14FNO3Si/c1-18(2,3)17-12(8-14,11(15)16)9-4-6-10(13)7-5-9/h4-7H,1-3H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid?
(2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid has a molecular weight of 267.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-2-(4-fluorophenyl)-2-trimethylsilyloxyacetic acid is sourced from PubChem (CID 146163104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).