4-(2-fluoroethoxymethyl)benzonitrile

C10H10FNO — CID 15058781

IUPAC4-(2-fluoroethoxymethyl)benzonitrile
SMILESN#Cc1ccc(COCCF)cc1
InChIInChI=1S/C10H10FNO/c11-5-6-13-8-10-3-1-9(7-12)2-4-10/h1-4H,5-6,8H2
InChIKeyQUUKJEYKUIJPNK-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.04
Rot. Bonds4

About 4-(2-fluoroethoxymethyl)benzonitrile

4-(2-fluoroethoxymethyl)benzonitrile (PubChem CID 15058781) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-(2-fluoroethoxymethyl)benzonitrile.

Molecular Properties

Compound Name4-(2-fluoroethoxymethyl)benzonitrile
PubChem CID15058781
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name4-(2-fluoroethoxymethyl)benzonitrile
SMILESN#Cc1ccc(COCCF)cc1
InChIInChI=1S/C10H10FNO/c11-5-6-13-8-10-3-1-9(7-12)2-4-10/h1-4H,5-6,8H2
InChIKeyQUUKJEYKUIJPNK-UHFFFAOYSA-N
XLogP2.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-fluoroethoxymethyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxymethyl)benzonitrile?
The IUPAC name of 4-(2-fluoroethoxymethyl)benzonitrile (CID 15058781) is 4-(2-fluoroethoxymethyl)benzonitrile.
What is the SMILES notation for 4-(2-fluoroethoxymethyl)benzonitrile?
The canonical SMILES for 4-(2-fluoroethoxymethyl)benzonitrile is N#Cc1ccc(COCCF)cc1.
What is the InChIKey of 4-(2-fluoroethoxymethyl)benzonitrile?
The InChIKey is QUUKJEYKUIJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-5-6-13-8-10-3-1-9(7-12)2-4-10/h1-4H,5-6,8H2.
What are the key properties of 4-(2-fluoroethoxymethyl)benzonitrile?
4-(2-fluoroethoxymethyl)benzonitrile has a molecular weight of 179.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxymethyl)benzonitrile is sourced from PubChem (CID 15058781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).