10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine

C13H14FNO — CID 168943609

IUPAC10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
SMILESCN1CCc2oc3cccc(F)c3c2CC1
InChIInChI=1S/C13H14FNO/c1-15-7-5-9-11(6-8-15)16-12-4-2-3-10(14)13(9)12/h2-4H,5-8H2,1H3
InChIKeyFLENNBIYLKDEPE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.60
Rot. Bonds

About 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine

10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine (PubChem CID 168943609) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine.

Molecular Properties

Compound Name10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
PubChem CID168943609
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
SMILESCN1CCc2oc3cccc(F)c3c2CC1
InChIInChI=1S/C13H14FNO/c1-15-7-5-9-11(6-8-15)16-12-4-2-3-10(14)13(9)12/h2-4H,5-8H2,1H3
InChIKeyFLENNBIYLKDEPE-UHFFFAOYSA-N
XLogP2.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The IUPAC name of 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine (CID 168943609) is 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine.
What is the SMILES notation for 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The canonical SMILES for 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine is CN1CCc2oc3cccc(F)c3c2CC1.
What is the InChIKey of 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
The InChIKey is FLENNBIYLKDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15-7-5-9-11(6-8-15)16-12-4-2-3-10(14)13(9)12/h2-4H,5-8H2,1H3.
What are the key properties of 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine?
10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine has a molecular weight of 219.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3-methyl-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine is sourced from PubChem (CID 168943609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).