[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate

C11H10FNO3 — CID 102574629

IUPAC[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate
SMILESCCOC(=O)O[C@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-15-11(14)16-10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3/t10-/m1/s1
InChIKeyGPTLEKNXZSCFJU-SNVBAGLBSA-N
MW223.20 g/mol
LogP2.56
Rot. Bonds3

About [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate

[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate (PubChem CID 102574629) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate.

Molecular Properties

Compound Name[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate
PubChem CID102574629
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate
SMILESCCOC(=O)O[C@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C11H10FNO3/c1-2-15-11(14)16-10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3/t10-/m1/s1
InChIKeyGPTLEKNXZSCFJU-SNVBAGLBSA-N
XLogP2.56
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxy-2-phenylacetonitrile
CID 320056
(R)-alpha-Acetoxyphenylacetonitrile
CID 11041226
Benzyl Methyl Carbonate
CID 11182814
gamma-Methoxybenzenebutanenitrile
CID 97991
Benzyl ethyl carbonate
CID 232453
1-(4-Iodophenyl)ethyl methyl carbonate
CID 208508
gamma-Ethoxybenzenebutanenitrile
CID 97967
gamma-(1-Methylethoxy)benzenebutanenitrile
CID 97973
4-Methoxy-4-(4-methylphenyl)butanenitrile
CID 97993
2-(3-Fluorophenyl)-2-methoxyacetonitrile
CID 66070705
Methyl 1-[4-(trifluoromethyl)phenyl]prop-2-enyl carbonate
CID 11961835
2-Fluoro-1-phenylethyl acetate
CID 13773842

Frequently Asked Questions

What is the IUPAC name of [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate?
The IUPAC name of [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate (CID 102574629) is [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate.
What is the SMILES notation for [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate?
The canonical SMILES for [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate is CCOC(=O)O[C@H](C#N)c1ccc(F)cc1.
What is the InChIKey of [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate?
The InChIKey is GPTLEKNXZSCFJU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-2-15-11(14)16-10(7-13)8-3-5-9(12)6-4-8/h3-6,10H,2H2,1H3/t10-/m1/s1.
What are the key properties of [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate?
[(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate has a molecular weight of 223.20 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-cyano-(4-fluorophenyl)methyl] ethyl carbonate is sourced from PubChem (CID 102574629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).