3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide

C14H18FN3O — CID 66392314

IUPAC3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C14H18FN3O/c15-13-5-9(14(16)17)1-2-10(13)6-18-7-11-3-4-12(8-18)19-11/h1-2,5,11-12H,3-4,6-8H2,(H3,16,17)
InChIKeyPYZNAEYSWFHJPD-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.47
Rot. Bonds3

About 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide

3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide (PubChem CID 66392314) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
PubChem CID66392314
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN2CC3CCC(C2)O3)c(F)c1
InChIInChI=1S/C14H18FN3O/c15-13-5-9(14(16)17)1-2-10(13)6-18-7-11-3-4-12(8-18)19-11/h1-2,5,11-12H,3-4,6-8H2,(H3,16,17)
InChIKeyPYZNAEYSWFHJPD-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 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide (CID 66392314) is 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN2CC3CCC(C2)O3)c(F)c1.
What is the InChIKey of 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
The InChIKey is PYZNAEYSWFHJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c15-13-5-9(14(16)17)1-2-10(13)6-18-7-11-3-4-12(8-18)19-11/h1-2,5,11-12H,3-4,6-8H2,(H3,16,17).
What are the key properties of 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide?
3-fluoro-4-(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 3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 66392314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).