4-fluoro-1,9-diazaspiro[5.5]undecan-2-one

C9H15FN2O — CID 168867306

IUPAC4-fluoro-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(F)CC2(CCNCC2)N1
InChIInChI=1S/C9H15FN2O/c10-7-5-8(13)12-9(6-7)1-3-11-4-2-9/h7,11H,1-6H2,(H,12,13)
InChIKeyBPVMWRZADRWLNE-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.36
Rot. Bonds

About 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one

4-fluoro-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 168867306) has the molecular formula C9H15FN2O and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name4-fluoro-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID168867306
Molecular FormulaC9H15FN2O
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Name4-fluoro-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1CC(F)CC2(CCNCC2)N1
InChIInChI=1S/C9H15FN2O/c10-7-5-8(13)12-9(6-7)1-3-11-4-2-9/h7,11H,1-6H2,(H,12,13)
InChIKeyBPVMWRZADRWLNE-UHFFFAOYSA-N
XLogP0.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-7-hydroxy-4-azaspiro[2.5]octan-5-one
CID 129499410
9-fluoro-2,6-diazaspiro[4.5]decane
CID 115012372
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 118742153
2,7,10-triazaspiro[5.6]dodecan-8-one
CID 162422719
2,7,10-triazaspiro[5.6]dodecan-8-one;dihydrochloride
CID 162422718
2-methyl-1-oxa-8-azaspiro[4.5]decan-4-one
CID 10464720
3-fluoro-1-oxa-8-azaspiro[4.5]decane
CID 55280856
1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 66741717
3,20-diazadispiro[5.1.118.26]henicosan-21-one
CID 54390266
6-methoxy-1-azaspiro[3.5]nonan-2-one
CID 106874445
(6R,10S)-10-hydroxy-1-azaspiro[5.5]undecan-2-one
CID 14768846
2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 89310977

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one (CID 168867306) is 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one is O=C1CC(F)CC2(CCNCC2)N1.
What is the InChIKey of 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is BPVMWRZADRWLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O/c10-7-5-8(13)12-9(6-7)1-3-11-4-2-9/h7,11H,1-6H2,(H,12,13).
What are the key properties of 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one?
4-fluoro-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 186.23 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 168867306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).