8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one

C9H12FNO2 — CID 129207649

IUPAC8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCC1(C)OC2CC23CC(F)C(=O)N13
InChIInChI=1S/C9H12FNO2/c1-8(2)11-7(12)5(10)3-9(11)4-6(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyZYOWITGTMDFVEC-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.83
Rot. Bonds

About 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one

8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one (PubChem CID 129207649) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one.

Molecular Properties

Compound Name8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one
PubChem CID129207649
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one
SMILESCC1(C)OC2CC23CC(F)C(=O)N13
InChIInChI=1S/C9H12FNO2/c1-8(2)11-7(12)5(10)3-9(11)4-6(9)13-8/h5-6H,3-4H2,1-2H3
InChIKeyZYOWITGTMDFVEC-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The IUPAC name of 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one (CID 129207649) is 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one.
What is the SMILES notation for 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The canonical SMILES for 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one is CC1(C)OC2CC23CC(F)C(=O)N13.
What is the InChIKey of 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one?
The InChIKey is ZYOWITGTMDFVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-8(2)11-7(12)5(10)3-9(11)4-6(9)13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one?
8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one has a molecular weight of 185.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5,5-dimethyl-4-oxa-6-azatricyclo[4.3.0.01,3]nonan-7-one is sourced from PubChem (CID 129207649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).