3-fluoro-1,7-diazaspiro[4.4]nonan-6-one

C7H11FN2O — CID 84716668

IUPAC3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CC(F)CN2
InChIInChI=1S/C7H11FN2O/c8-5-3-7(10-4-5)1-2-9-6(7)11/h5,10H,1-4H2,(H,9,11)
InChIKeyNFTOZUSFSSIRBJ-UHFFFAOYSA-N
MW158.18 g/mol
LogP-0.42
Rot. Bonds

About 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one

3-fluoro-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 84716668) has the molecular formula C7H11FN2O and a molecular weight of 158.18 g/mol. Its IUPAC name is 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID84716668
Molecular FormulaC7H11FN2O
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name3-fluoro-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C1NCCC12CC(F)CN2
InChIInChI=1S/C7H11FN2O/c8-5-3-7(10-4-5)1-2-9-6(7)11/h5,10H,1-4H2,(H,9,11)
InChIKeyNFTOZUSFSSIRBJ-UHFFFAOYSA-N
XLogP-0.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one (CID 84716668) is 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one is O=C1NCCC12CC(F)CN2.
What is the InChIKey of 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is NFTOZUSFSSIRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2O/c8-5-3-7(10-4-5)1-2-9-6(7)11/h5,10H,1-4H2,(H,9,11).
What are the key properties of 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one?
3-fluoro-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 158.18 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 84716668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).