8-azabicyclo[3.2.1]octane-1-carbonyl fluoride

C8H12FNO — CID 140985488

IUPAC8-azabicyclo[3.2.1]octane-1-carbonyl fluoride
SMILESO=C(F)C12CCCC(CC1)N2
InChIInChI=1S/C8H12FNO/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2
InChIKeyBICBNWGGVCABDV-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.16
Rot. Bonds1

About 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride

8-azabicyclo[3.2.1]octane-1-carbonyl fluoride (PubChem CID 140985488) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octane-1-carbonyl fluoride
PubChem CID140985488
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name8-azabicyclo[3.2.1]octane-1-carbonyl fluoride
SMILESO=C(F)C12CCCC(CC1)N2
InChIInChI=1S/C8H12FNO/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2
InChIKeyBICBNWGGVCABDV-UHFFFAOYSA-N
XLogP1.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride 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 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride?
The IUPAC name of 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride (CID 140985488) is 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride.
What is the SMILES notation for 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride?
The canonical SMILES for 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride is O=C(F)C12CCCC(CC1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride?
The InChIKey is BICBNWGGVCABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2.
What are the key properties of 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride?
8-azabicyclo[3.2.1]octane-1-carbonyl fluoride has a molecular weight of 157.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octane-1-carbonyl fluoride is sourced from PubChem (CID 140985488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).