2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile

C10H8FNO2 — CID 23294850

IUPAC2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile
SMILESC=CCOc1cc(O)c(C#N)c(F)c1
InChIInChI=1S/C10H8FNO2/c1-2-3-14-7-4-9(11)8(6-12)10(13)5-7/h2,4-5,13H,1,3H2
InChIKeyZXDGPKAZECZIQG-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.97
Rot. Bonds3

About 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile

2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile (PubChem CID 23294850) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile
PubChem CID23294850
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile
SMILESC=CCOc1cc(O)c(C#N)c(F)c1
InChIInChI=1S/C10H8FNO2/c1-2-3-14-7-4-9(11)8(6-12)10(13)5-7/h2,4-5,13H,1,3H2
InChIKeyZXDGPKAZECZIQG-UHFFFAOYSA-N
XLogP1.97
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile?
The IUPAC name of 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile (CID 23294850) is 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile?
The canonical SMILES for 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile is C=CCOc1cc(O)c(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile?
The InChIKey is ZXDGPKAZECZIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c1-2-3-14-7-4-9(11)8(6-12)10(13)5-7/h2,4-5,13H,1,3H2.
What are the key properties of 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile?
2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile has a molecular weight of 193.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-4-prop-2-enoxybenzonitrile is sourced from PubChem (CID 23294850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).