2-fluoro-4-(1-hydroxyethyl)benzonitrile

C9H8FNO — CID 11084231

IUPAC2-fluoro-4-(1-hydroxyethyl)benzonitrile
SMILESCC(O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C9H8FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,1H3
InChIKeyRPLAOBQEYAQRNN-UHFFFAOYSA-N
MW165.17 g/mol
LogP1.75
Rot. Bonds1

About 2-fluoro-4-(1-hydroxyethyl)benzonitrile

2-fluoro-4-(1-hydroxyethyl)benzonitrile (PubChem CID 11084231) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-fluoro-4-(1-hydroxyethyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1-hydroxyethyl)benzonitrile
PubChem CID11084231
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-fluoro-4-(1-hydroxyethyl)benzonitrile
SMILESCC(O)c1ccc(C#N)c(F)c1
InChIInChI=1S/C9H8FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,1H3
InChIKeyRPLAOBQEYAQRNN-UHFFFAOYSA-N
XLogP1.75
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-hydroxyethyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(1-hydroxyethyl)benzonitrile (CID 11084231) is 2-fluoro-4-(1-hydroxyethyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1-hydroxyethyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1-hydroxyethyl)benzonitrile is CC(O)c1ccc(C#N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(1-hydroxyethyl)benzonitrile?
The InChIKey is RPLAOBQEYAQRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6(12)7-2-3-8(5-11)9(10)4-7/h2-4,6,12H,1H3.
What are the key properties of 2-fluoro-4-(1-hydroxyethyl)benzonitrile?
2-fluoro-4-(1-hydroxyethyl)benzonitrile has a molecular weight of 165.17 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-hydroxyethyl)benzonitrile is sourced from PubChem (CID 11084231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).