2-(2-fluorophenoxy)propanenitrile

C9H8FNO — CID 60643932

IUPAC2-(2-fluorophenoxy)propanenitrile
SMILESCC(C#N)Oc1ccccc1F
InChIInChI=1S/C9H8FNO/c1-7(6-11)12-9-5-3-2-4-8(9)10/h2-5,7H,1H3
InChIKeyNXAOCKUEMWYAMB-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-fluorophenoxy)propanenitrile

2-(2-fluorophenoxy)propanenitrile (PubChem CID 60643932) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)propanenitrile.

Molecular Properties

Compound Name2-(2-fluorophenoxy)propanenitrile
PubChem CID60643932
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(2-fluorophenoxy)propanenitrile
SMILESCC(C#N)Oc1ccccc1F
InChIInChI=1S/C9H8FNO/c1-7(6-11)12-9-5-3-2-4-8(9)10/h2-5,7H,1H3
InChIKeyNXAOCKUEMWYAMB-UHFFFAOYSA-N
XLogP2.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)propanenitrile?
The IUPAC name of 2-(2-fluorophenoxy)propanenitrile (CID 60643932) is 2-(2-fluorophenoxy)propanenitrile.
What is the SMILES notation for 2-(2-fluorophenoxy)propanenitrile?
The canonical SMILES for 2-(2-fluorophenoxy)propanenitrile is CC(C#N)Oc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenoxy)propanenitrile?
The InChIKey is NXAOCKUEMWYAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-7(6-11)12-9-5-3-2-4-8(9)10/h2-5,7H,1H3.
What are the key properties of 2-(2-fluorophenoxy)propanenitrile?
2-(2-fluorophenoxy)propanenitrile has a molecular weight of 165.17 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)propanenitrile is sourced from PubChem (CID 60643932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).