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

C13H14FNO — CID 168943694

IUPAC8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESCN1CCCc2oc3cc(F)ccc3c2C1
InChIInChI=1S/C13H14FNO/c1-15-6-2-3-12-11(8-15)10-5-4-9(14)7-13(10)16-12/h4-5,7H,2-3,6,8H2,1H3
InChIKeyXFNNOECPGOETDZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.95
Rot. Bonds

About 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine

8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (PubChem CID 168943694) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.

Molecular Properties

Compound Name8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
PubChem CID168943694
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine
SMILESCN1CCCc2oc3cc(F)ccc3c2C1
InChIInChI=1S/C13H14FNO/c1-15-6-2-3-12-11(8-15)10-5-4-9(14)7-13(10)16-12/h4-5,7H,2-3,6,8H2,1H3
InChIKeyXFNNOECPGOETDZ-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 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The IUPAC name of 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine (CID 168943694) is 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine.
What is the SMILES notation for 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The canonical SMILES for 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is CN1CCCc2oc3cc(F)ccc3c2C1.
What is the InChIKey of 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
The InChIKey is XFNNOECPGOETDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15-6-2-3-12-11(8-15)10-5-4-9(14)7-13(10)16-12/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine?
8-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 8-fluoro-2-methyl-1,3,4,5-tetrahydro-[1]benzofuro[3,2-c]azepine is sourced from PubChem (CID 168943694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).