2-but-2-en-2-yloxy-6-fluorobenzonitrile

C11H10FNO — CID 57189782

IUPAC2-but-2-en-2-yloxy-6-fluorobenzonitrile
SMILESCC=C(C)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO/c1-3-8(2)14-11-6-4-5-10(12)9(11)7-13/h3-6H,1-2H3
InChIKeyRNZVBYBYIURTLX-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.00
Rot. Bonds2

About 2-but-2-en-2-yloxy-6-fluorobenzonitrile

2-but-2-en-2-yloxy-6-fluorobenzonitrile (PubChem CID 57189782) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-but-2-en-2-yloxy-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-but-2-en-2-yloxy-6-fluorobenzonitrile
PubChem CID57189782
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-but-2-en-2-yloxy-6-fluorobenzonitrile
SMILESCC=C(C)Oc1cccc(F)c1C#N
InChIInChI=1S/C11H10FNO/c1-3-8(2)14-11-6-4-5-10(12)9(11)7-13/h3-6H,1-2H3
InChIKeyRNZVBYBYIURTLX-UHFFFAOYSA-N
XLogP3.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-but-2-en-2-yloxy-6-fluorobenzonitrile 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 2-but-2-en-2-yloxy-6-fluorobenzonitrile?
The IUPAC name of 2-but-2-en-2-yloxy-6-fluorobenzonitrile (CID 57189782) is 2-but-2-en-2-yloxy-6-fluorobenzonitrile.
What is the SMILES notation for 2-but-2-en-2-yloxy-6-fluorobenzonitrile?
The canonical SMILES for 2-but-2-en-2-yloxy-6-fluorobenzonitrile is CC=C(C)Oc1cccc(F)c1C#N.
What is the InChIKey of 2-but-2-en-2-yloxy-6-fluorobenzonitrile?
The InChIKey is RNZVBYBYIURTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-3-8(2)14-11-6-4-5-10(12)9(11)7-13/h3-6H,1-2H3.
What are the key properties of 2-but-2-en-2-yloxy-6-fluorobenzonitrile?
2-but-2-en-2-yloxy-6-fluorobenzonitrile has a molecular weight of 191.20 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yloxy-6-fluorobenzonitrile is sourced from PubChem (CID 57189782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).