(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

C10H15FIN3O — CID 129269373

IUPAC(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1CC(F)C1)N1C2CCC1CN(I)C2
InChIInChI=1S/C10H15FIN3O/c11-7-3-13(4-7)10(16)15-8-1-2-9(15)6-14(12)5-8/h7-9H,1-6H2
InChIKeyZPSUNGIFKDGAGU-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.26
Rot. Bonds

About (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone

(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 129269373) has the molecular formula C10H15FIN3O and a molecular weight of 339.15 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID129269373
Molecular FormulaC10H15FIN3O
Molecular Weight339.15 g/mol
Exact Mass339.02
IUPAC Name(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
SMILESO=C(N1CC(F)C1)N1C2CCC1CN(I)C2
InChIInChI=1S/C10H15FIN3O/c11-7-3-13(4-7)10(16)15-8-1-2-9(15)6-14(12)5-8/h7-9H,1-6H2
InChIKeyZPSUNGIFKDGAGU-UHFFFAOYSA-N
XLogP1.26
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Fluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269350
(3,3-Difluoroazetidin-1-yl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129269533
(3-Methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269734
(3-Iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 129269977
[3-[Difluoro(iodo)methyl]azetidin-1-yl]-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 129270102
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-(3-fluoroazetidin-1-yl)methanone
CID 137444333
(3-Tert-butyl-3,8-diazabicyclo[3.2.1]octan-8-yl)-[3-(trifluoromethyl)azetidin-1-yl]methanone
CID 137444456
(3,3-Difluoroazetidin-1-yl)-(3-ethyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 137444482
(3,3-Difluoroazetidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929193
(3-Fluoroazetidin-1-yl)-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 140929197
(2R,5R)-2-fluoro-6-sulfanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 162690529
(2S,5R)-2-(fluoromethyl)-6-sulfanyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 162690541

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (CID 129269373) is (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is O=C(N1CC(F)C1)N1C2CCC1CN(I)C2.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is ZPSUNGIFKDGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FIN3O/c11-7-3-13(4-7)10(16)15-8-1-2-9(15)6-14(12)5-8/h7-9H,1-6H2.
What are the key properties of (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone?
(3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 339.15 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(3-iodo-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 129269373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).