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

C14H23FN2O2 — CID 131680045

IUPAC(1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C14H23FN2O2/c1-19-8-7-17-11-3-4-12(17)10-16(9-11)13(18)14(15)5-2-6-14/h11-12H,2-10H2,1H3
InChIKeyVABCNHSIQRVZDW-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.20
Rot. Bonds4

About (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone

(1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (PubChem CID 131680045) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
PubChem CID131680045
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name(1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
SMILESCOCCN1C2CCC1CN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C14H23FN2O2/c1-19-8-7-17-11-3-4-12(17)10-16(9-11)13(18)14(15)5-2-6-14/h11-12H,2-10H2,1H3
InChIKeyVABCNHSIQRVZDW-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The IUPAC name of (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone (CID 131680045) is (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The canonical SMILES for (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is COCCN1C2CCC1CN(C(=O)C1(F)CCC1)C2.
What is the InChIKey of (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
The InChIKey is VABCNHSIQRVZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-19-8-7-17-11-3-4-12(17)10-16(9-11)13(18)14(15)5-2-6-14/h11-12H,2-10H2,1H3.
What are the key properties of (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone?
(1-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 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone is sourced from PubChem (CID 131680045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).