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

C12H12FNO — CID 168943630

IUPAC8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
SMILESFc1ccc2c3c(oc2c1)CCCNC3
InChIInChI=1S/C12H12FNO/c13-8-3-4-9-10-7-14-5-1-2-11(10)15-12(9)6-8/h3-4,6,14H,1-2,5,7H2
InChIKeyJFTLTASDIURWTA-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.61
Rot. Bonds

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

8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine (PubChem CID 168943630) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine.

Molecular Properties

Compound Name8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
PubChem CID168943630
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
SMILESFc1ccc2c3c(oc2c1)CCCNC3
InChIInChI=1S/C12H12FNO/c13-8-3-4-9-10-7-14-5-1-2-11(10)15-12(9)6-8/h3-4,6,14H,1-2,5,7H2
InChIKeyJFTLTASDIURWTA-UHFFFAOYSA-N
XLogP2.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The IUPAC name of 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine (CID 168943630) is 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine.
What is the SMILES notation for 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The canonical SMILES for 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine is Fc1ccc2c3c(oc2c1)CCCNC3.
What is the InChIKey of 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The InChIKey is JFTLTASDIURWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-8-3-4-9-10-7-14-5-1-2-11(10)15-12(9)6-8/h3-4,6,14H,1-2,5,7H2.
What are the key properties of 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine has a molecular weight of 205.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine is sourced from PubChem (CID 168943630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).