2-fluoro-1-benzazocine

C11H8FN — CID 175116888

IUPAC2-fluoro-1-benzazocine
SMILESFC1=CC=CC=c2ccccc2=N1
InChIInChI=1S/C11H8FN/c12-11-8-4-2-6-9-5-1-3-7-10(9)13-11/h1-8H
InChIKeyZJIVRLHCPAGHJE-UHFFFAOYSA-N
MW173.19 g/mol
LogP1.47
Rot. Bonds

About 2-fluoro-1-benzazocine

2-fluoro-1-benzazocine (PubChem CID 175116888) has the molecular formula C11H8FN and a molecular weight of 173.19 g/mol. Its IUPAC name is 2-fluoro-1-benzazocine.

Molecular Properties

Compound Name2-fluoro-1-benzazocine
PubChem CID175116888
Molecular FormulaC11H8FN
Molecular Weight173.19 g/mol
Exact Mass173.06
IUPAC Name2-fluoro-1-benzazocine
SMILESFC1=CC=CC=c2ccccc2=N1
InChIInChI=1S/C11H8FN/c12-11-8-4-2-6-9-5-1-3-7-10(9)13-11/h1-8H
InChIKeyZJIVRLHCPAGHJE-UHFFFAOYSA-N
XLogP1.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-benzazocine?
The IUPAC name of 2-fluoro-1-benzazocine (CID 175116888) is 2-fluoro-1-benzazocine.
What is the SMILES notation for 2-fluoro-1-benzazocine?
The canonical SMILES for 2-fluoro-1-benzazocine is FC1=CC=CC=c2ccccc2=N1.
What is the InChIKey of 2-fluoro-1-benzazocine?
The InChIKey is ZJIVRLHCPAGHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN/c12-11-8-4-2-6-9-5-1-3-7-10(9)13-11/h1-8H.
What are the key properties of 2-fluoro-1-benzazocine?
2-fluoro-1-benzazocine has a molecular weight of 173.19 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-benzazocine is sourced from PubChem (CID 175116888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).