2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide

C14H18FN3O — CID 107117963

IUPAC2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC3CCC(C2)O3)c1F
InChIInChI=1S/C14H18FN3O/c15-13-9(2-1-3-12(13)14(16)17)6-18-7-10-4-5-11(8-18)19-10/h1-3,10-11H,4-8H2,(H3,16,17)
InChIKeyQOYJYDXVMFOGSQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.47
Rot. Bonds3

About 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide

2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide (PubChem CID 107117963) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
PubChem CID107117963
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC3CCC(C2)O3)c1F
InChIInChI=1S/C14H18FN3O/c15-13-9(2-1-3-12(13)14(16)17)6-18-7-10-4-5-11(8-18)19-10/h1-3,10-11H,4-8H2,(H3,16,17)
InChIKeyQOYJYDXVMFOGSQ-UHFFFAOYSA-N
XLogP1.47
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The IUPAC name of 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide (CID 107117963) is 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CC3CCC(C2)O3)c1F.
What is the InChIKey of 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The InChIKey is QOYJYDXVMFOGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-13-9(2-1-3-12(13)14(16)17)6-18-7-10-4-5-11(8-18)19-10/h1-3,10-11H,4-8H2,(H3,16,17).
What are the key properties of 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide has a molecular weight of 263.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 107117963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).