8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

C11H13ClF3N — CID 71432328

IUPAC8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(c1)NCCCC2
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-4-8-3-1-2-6-15-10(8)7-9;/h4-5,7,15H,1-3,6H2;1H
InChIKeyBYQIYRJXFNMFAR-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.88
Rot. Bonds

About 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (PubChem CID 71432328) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.

Molecular Properties

Compound Name8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
PubChem CID71432328
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(c1)NCCCC2
InChIInChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-4-8-3-1-2-6-15-10(8)7-9;/h4-5,7,15H,1-3,6H2;1H
InChIKeyBYQIYRJXFNMFAR-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The IUPAC name of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (CID 71432328) is 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.
What is the SMILES notation for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The canonical SMILES for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is Cl.FC(F)(F)c1ccc2c(c1)NCCCC2.
What is the InChIKey of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The InChIKey is BYQIYRJXFNMFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N.ClH/c12-11(13,14)9-5-4-8-3-1-2-6-15-10(8)7-9;/h4-5,7,15H,1-3,6H2;1H.
What are the key properties of 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride has a molecular weight of 251.68 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is sourced from PubChem (CID 71432328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).