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

C13H14FNO — CID 168943679

IUPAC10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESCN1CCCc2oc3cccc(F)c3c2C1
InChIInChI=1S/C13H14FNO/c1-15-7-3-6-11-9(8-15)13-10(14)4-2-5-12(13)16-11/h2,4-5H,3,6-8H2,1H3
InChIKeyQHNNULDUMIZDDQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.95
Rot. Bonds

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

10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (PubChem CID 168943679) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.

Molecular Properties

Compound Name10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
PubChem CID168943679
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESCN1CCCc2oc3cccc(F)c3c2C1
InChIInChI=1S/C13H14FNO/c1-15-7-3-6-11-9(8-15)13-10(14)4-2-5-12(13)16-11/h2,4-5H,3,6-8H2,1H3
InChIKeyQHNNULDUMIZDDQ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The IUPAC name of 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (CID 168943679) is 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.
What is the SMILES notation for 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The canonical SMILES for 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is CN1CCCc2oc3cccc(F)c3c2C1.
What is the InChIKey of 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The InChIKey is QHNNULDUMIZDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15-7-3-6-11-9(8-15)13-10(14)4-2-5-12(13)16-11/h2,4-5H,3,6-8H2,1H3.
What are the key properties of 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine has a molecular weight of 219.26 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is sourced from PubChem (CID 168943679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).