7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

C11H13ClF3NO — CID 71432329

IUPAC7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc2c(c1)CCCCN2
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-5-10-8(7-9)3-1-2-6-15-10;/h4-5,7,15H,1-3,6H2;1H
InChIKeyYAFQMANDVZIYHB-UHFFFAOYSA-N
MW267.68 g/mol
LogP3.76
Rot. Bonds1

About 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride

7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (PubChem CID 71432329) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.

Molecular Properties

Compound Name7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
PubChem CID71432329
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc2c(c1)CCCCN2
InChIInChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-5-10-8(7-9)3-1-2-6-15-10;/h4-5,7,15H,1-3,6H2;1H
InChIKeyYAFQMANDVZIYHB-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 162368247
6-(difluoromethoxy)-1,2,3,4-tetrahydroquinoline
CID 16792853
6-(trifluoromethoxy)-2,3-dihydro-1H-quinolin-4-one
CID 15550363
7-(trifluoromethoxy)-3,4-dihydro-2H-1,4-benzothiazine
CID 15550365
8-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432328
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
6-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075316
8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 106778906
6-pyrrolidin-3-yloxy-1,2,3,4-tetrahydroquinoline
CID 84683949
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
2,3,4,5-tetrahydro-1H-1-benzazepine
CID 576503
5-[4-(trifluoromethyl)cyclohexyl]oxy-2,3-dihydro-1H-indole
CID 66926636

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The IUPAC name of 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride (CID 71432329) is 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride.
What is the SMILES notation for 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The canonical SMILES for 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is Cl.FC(F)(F)Oc1ccc2c(c1)CCCCN2.
What is the InChIKey of 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
The InChIKey is YAFQMANDVZIYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-4-5-10-8(7-9)3-1-2-6-15-10;/h4-5,7,15H,1-3,6H2;1H.
What are the key properties of 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride?
7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride has a molecular weight of 267.68 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride is sourced from PubChem (CID 71432329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).