2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide

C9H12FNO — CID 89426467

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide
SMILESO=C(CC1CC2C=CC1C2)NF
InChIInChI=1S/C9H12FNO/c10-11-9(12)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,12)
InChIKeyZIKRAZZZCVVENC-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.59
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide

2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide (PubChem CID 89426467) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide
PubChem CID89426467
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide
SMILESO=C(CC1CC2C=CC1C2)NF
InChIInChI=1S/C9H12FNO/c10-11-9(12)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,12)
InChIKeyZIKRAZZZCVVENC-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide (CID 89426467) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide is O=C(CC1CC2C=CC1C2)NF.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide?
The InChIKey is ZIKRAZZZCVVENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-11-9(12)5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5H2,(H,11,12).
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide has a molecular weight of 169.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-N-fluoroacetamide is sourced from PubChem (CID 89426467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).