[(S)-cyano-(2-fluorophenyl)methyl] acetate

C10H8FNO2 — CID 12012412

IUPAC[(S)-cyano-(2-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@H](C#N)c1ccccc1F
InChIInChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-4-2-3-5-9(8)11/h2-5,10H,1H3/t10-/m1/s1
InChIKeyHWCXEWMSDVABOD-SNVBAGLBSA-N
MW193.18 g/mol
LogP1.95
Rot. Bonds2

About [(S)-cyano-(2-fluorophenyl)methyl] acetate

[(S)-cyano-(2-fluorophenyl)methyl] acetate (PubChem CID 12012412) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is [(S)-cyano-(2-fluorophenyl)methyl] acetate.

Molecular Properties

Compound Name[(S)-cyano-(2-fluorophenyl)methyl] acetate
PubChem CID12012412
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name[(S)-cyano-(2-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@H](C#N)c1ccccc1F
InChIInChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-4-2-3-5-9(8)11/h2-5,10H,1H3/t10-/m1/s1
InChIKeyHWCXEWMSDVABOD-SNVBAGLBSA-N
XLogP1.95
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(S)-cyano-(2-fluorophenyl)methyl] acetate?
The IUPAC name of [(S)-cyano-(2-fluorophenyl)methyl] acetate (CID 12012412) is [(S)-cyano-(2-fluorophenyl)methyl] acetate.
What is the SMILES notation for [(S)-cyano-(2-fluorophenyl)methyl] acetate?
The canonical SMILES for [(S)-cyano-(2-fluorophenyl)methyl] acetate is CC(=O)O[C@H](C#N)c1ccccc1F.
What is the InChIKey of [(S)-cyano-(2-fluorophenyl)methyl] acetate?
The InChIKey is HWCXEWMSDVABOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-4-2-3-5-9(8)11/h2-5,10H,1H3/t10-/m1/s1.
What are the key properties of [(S)-cyano-(2-fluorophenyl)methyl] acetate?
[(S)-cyano-(2-fluorophenyl)methyl] acetate has a molecular weight of 193.18 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-cyano-(2-fluorophenyl)methyl] acetate is sourced from PubChem (CID 12012412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).