[(R)-cyano-(3-fluorophenyl)methyl] acetate

C10H8FNO2 — CID 14451527

IUPAC[(R)-cyano-(3-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@@H](C#N)c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3/t10-/m0/s1
InChIKeyVYJCGLREZRBIQV-JTQLQIEISA-N
MW193.18 g/mol
LogP1.95
Rot. Bonds2

About [(R)-cyano-(3-fluorophenyl)methyl] acetate

[(R)-cyano-(3-fluorophenyl)methyl] acetate (PubChem CID 14451527) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is [(R)-cyano-(3-fluorophenyl)methyl] acetate.

Molecular Properties

Compound Name[(R)-cyano-(3-fluorophenyl)methyl] acetate
PubChem CID14451527
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name[(R)-cyano-(3-fluorophenyl)methyl] acetate
SMILESCC(=O)O[C@@H](C#N)c1cccc(F)c1
InChIInChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3/t10-/m0/s1
InChIKeyVYJCGLREZRBIQV-JTQLQIEISA-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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Related Compounds

[cyano-(3-methylphenyl)methyl] acetate
CID 12617367
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
[(S)-cyano-(4-fluoro-3-phenoxyphenyl)methyl] acetate
CID 10107984
1-(3-fluorophenyl)prop-2-enyl acetate
CID 18187447
[cyano-(4-hydroxy-3,5-diiodophenyl)methyl] acetate
CID 21115294
2-(3-fluorophenyl)-2-hydroxyacetonitrile
CID 18364031
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
[(S)-cyano-(3-methylphenyl)methyl] propanoate
CID 76850681
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
CID 79802733

Frequently Asked Questions

What is the IUPAC name of [(R)-cyano-(3-fluorophenyl)methyl] acetate?
The IUPAC name of [(R)-cyano-(3-fluorophenyl)methyl] acetate (CID 14451527) is [(R)-cyano-(3-fluorophenyl)methyl] acetate.
What is the SMILES notation for [(R)-cyano-(3-fluorophenyl)methyl] acetate?
The canonical SMILES for [(R)-cyano-(3-fluorophenyl)methyl] acetate is CC(=O)O[C@@H](C#N)c1cccc(F)c1.
What is the InChIKey of [(R)-cyano-(3-fluorophenyl)methyl] acetate?
The InChIKey is VYJCGLREZRBIQV-JTQLQIEISA-N. The full InChI is InChI=1S/C10H8FNO2/c1-7(13)14-10(6-12)8-3-2-4-9(11)5-8/h2-5,10H,1H3/t10-/m0/s1.
What are the key properties of [(R)-cyano-(3-fluorophenyl)methyl] acetate?
[(R)-cyano-(3-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 [(R)-cyano-(3-fluorophenyl)methyl] acetate is sourced from PubChem (CID 14451527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).