8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine

C13H12F3NO — CID 168943654

IUPAC8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
SMILESFC(F)(F)c1ccc2c3c(oc2c1)CCCNC3
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-9-10-7-17-5-1-2-11(10)18-12(9)6-8/h3-4,6,17H,1-2,5,7H2
InChIKeyMCFNTHVNEZADMW-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.49
Rot. Bonds

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

8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine (PubChem CID 168943654) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
PubChem CID168943654
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine
SMILESFC(F)(F)c1ccc2c3c(oc2c1)CCCNC3
InChIInChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-9-10-7-17-5-1-2-11(10)18-12(9)6-8/h3-4,6,17H,1-2,5,7H2
InChIKeyMCFNTHVNEZADMW-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine (CID 168943654) is 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine.
What is the SMILES notation for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The canonical SMILES for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine is FC(F)(F)c1ccc2c3c(oc2c1)CCCNC3.
What is the InChIKey of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
The InChIKey is MCFNTHVNEZADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)8-3-4-9-10-7-17-5-1-2-11(10)18-12(9)6-8/h3-4,6,17H,1-2,5,7H2.
What are the key properties of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine?
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine has a molecular weight of 255.24 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-[1]benzofuro[3,2-c]azepine is sourced from PubChem (CID 168943654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).