2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one

C6H9FN2O — CID 146362107

IUPAC2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCC(F)N1C2
InChIInChI=1S/C6H9FN2O/c7-5-2-1-4-3-9(5)6(10)8-4/h4-5H,1-3H2,(H,8,10)
InChIKeyASILRNTUVAFEKP-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.47
Rot. Bonds

About 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one

2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 146362107) has the molecular formula C6H9FN2O and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID146362107
Molecular FormulaC6H9FN2O
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1NC2CCC(F)N1C2
InChIInChI=1S/C6H9FN2O/c7-5-2-1-4-3-9(5)6(10)8-4/h4-5H,1-3H2,(H,8,10)
InChIKeyASILRNTUVAFEKP-UHFFFAOYSA-N
XLogP0.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Piperidin-3-yl)imidazolidin-2-one
CID 45791720
1-(Piperidin-4-yl)imidazolidin-2-one
CID 13031757
piperazin-1-yl-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629049
piperazin-1-yl-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 67629541
1-Piperidin-3-yl-3-(2,2,2-trifluoroethyl)imidazolidin-2-one
CID 84804040
3-methyl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 129269391
1-[(1R,2R)-2-fluorocyclohexyl]imidazolidin-2-one
CID 134169328
1-[(1S,2R)-2-fluorocyclohexyl]imidazolidin-2-one
CID 134169330
3-propan-2-yl-N-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 137444381
(2S,5R)-2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362106
(2S)-2-(fluoromethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362136
2-(1,1-Difluoroethyl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146362146

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one (CID 146362107) is 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1NC2CCC(F)N1C2.
What is the InChIKey of 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is ASILRNTUVAFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN2O/c7-5-2-1-4-3-9(5)6(10)8-4/h4-5H,1-3H2,(H,8,10).
What are the key properties of 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one?
2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 144.15 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 146362107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).