9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride

C15H15ClFNO — CID 68577904

IUPAC9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCl.Fc1ccccc1-c1cccc2c1OCCNC2
InChIInChI=1S/C15H14FNO.ClH/c16-14-7-2-1-5-12(14)13-6-3-4-11-10-17-8-9-18-15(11)13;/h1-7,17H,8-10H2;1H
InChIKeyQOTILQVNIUFGJY-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.40
Rot. Bonds1

About 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride

9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (PubChem CID 68577904) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.

Molecular Properties

Compound Name9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
PubChem CID68577904
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
SMILESCl.Fc1ccccc1-c1cccc2c1OCCNC2
InChIInChI=1S/C15H14FNO.ClH/c16-14-7-2-1-5-12(14)13-6-3-4-11-10-17-8-9-18-15(11)13;/h1-7,17H,8-10H2;1H
InChIKeyQOTILQVNIUFGJY-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The IUPAC name of 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride (CID 68577904) is 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride.
What is the SMILES notation for 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The canonical SMILES for 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is Cl.Fc1ccccc1-c1cccc2c1OCCNC2.
What is the InChIKey of 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
The InChIKey is QOTILQVNIUFGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO.ClH/c16-14-7-2-1-5-12(14)13-6-3-4-11-10-17-8-9-18-15(11)13;/h1-7,17H,8-10H2;1H.
What are the key properties of 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride?
9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride has a molecular weight of 279.74 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride is sourced from PubChem (CID 68577904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).