2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine

C16H18FNO — CID 168943640

IUPAC2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESFc1cccc2oc3c(c12)CN(C1CCC1)CCC3
InChIInChI=1S/C16H18FNO/c17-13-6-2-7-15-16(13)12-10-18(11-4-1-5-11)9-3-8-14(12)19-15/h2,6-7,11H,1,3-5,8-10H2
InChIKeyDKOPZEWKLRAKIM-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.87
Rot. Bonds1

About 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine

2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (PubChem CID 168943640) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.

Molecular Properties

Compound Name2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
PubChem CID168943640
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESFc1cccc2oc3c(c12)CN(C1CCC1)CCC3
InChIInChI=1S/C16H18FNO/c17-13-6-2-7-15-16(13)12-10-18(11-4-1-5-11)9-3-8-14(12)19-15/h2,6-7,11H,1,3-5,8-10H2
InChIKeyDKOPZEWKLRAKIM-UHFFFAOYSA-N
XLogP3.87
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The IUPAC name of 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (CID 168943640) is 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.
What is the SMILES notation for 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The canonical SMILES for 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is Fc1cccc2oc3c(c12)CN(C1CCC1)CCC3.
What is the InChIKey of 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The InChIKey is DKOPZEWKLRAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c17-13-6-2-7-15-16(13)12-10-18(11-4-1-5-11)9-3-8-14(12)19-15/h2,6-7,11H,1,3-5,8-10H2.
What are the key properties of 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine has a molecular weight of 259.32 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-10-fluoro-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is sourced from PubChem (CID 168943640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).