2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile

C11H10FNO — CID 107937049

IUPAC2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
SMILESC/C(=C/c1ccc(F)c(C#N)c1)CO
InChIInChI=1S/C11H10FNO/c1-8(7-14)4-9-2-3-11(12)10(5-9)6-13/h2-5,14H,7H2,1H3/b8-4-
InChIKeyDSQWJFLUSLPUOS-YWEYNIOJSA-N
MW191.20 g/mol
LogP2.09
Rot. Bonds2

About 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile

2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile (PubChem CID 107937049) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
PubChem CID107937049
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
SMILESC/C(=C/c1ccc(F)c(C#N)c1)CO
InChIInChI=1S/C11H10FNO/c1-8(7-14)4-9-2-3-11(12)10(5-9)6-13/h2-5,14H,7H2,1H3/b8-4-
InChIKeyDSQWJFLUSLPUOS-YWEYNIOJSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile (CID 107937049) is 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile is C/C(=C/c1ccc(F)c(C#N)c1)CO.
What is the InChIKey of 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile?
The InChIKey is DSQWJFLUSLPUOS-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H10FNO/c1-8(7-14)4-9-2-3-11(12)10(5-9)6-13/h2-5,14H,7H2,1H3/b8-4-.
What are the key properties of 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile?
2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile has a molecular weight of 191.20 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile is sourced from PubChem (CID 107937049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).