(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

C14H23FN2O2 — CID 131679675

IUPAC(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2
InChIInChI=1S/C14H23FN2O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10/h10-13H,2-9H2,1H3
InChIKeyHGKJMGKOZUCUDE-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.06
Rot. Bonds4

About (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 131679675) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID131679675
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2
InChIInChI=1S/C14H23FN2O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10/h10-13H,2-9H2,1H3
InChIKeyHGKJMGKOZUCUDE-UHFFFAOYSA-N
XLogP1.06
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 131679675) is (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is COCCN1C2CCC1CN(C(=O)C1CC(F)C1)C2.
What is the InChIKey of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is HGKJMGKOZUCUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-19-5-4-17-12-2-3-13(17)9-16(8-12)14(18)10-6-11(15)7-10/h10-13H,2-9H2,1H3.
What are the key properties of (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
(3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone has a molecular weight of 270.35 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 131679675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).