8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride

C14H11ClF3N3 — CID 21093517

IUPAC8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride
SMILESCl.NC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3.ClH/c15-14(16,17)8-5-6-10-9(7-8)13(18)20-12-4-2-1-3-11(12)19-10;/h1-7,19H,(H2,18,20);1H
InChIKeyKISHROATUQYCGC-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.22
Rot. Bonds

About 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride

8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride (PubChem CID 21093517) has the molecular formula C14H11ClF3N3 and a molecular weight of 313.71 g/mol. Its IUPAC name is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride.

Molecular Properties

Compound Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride
PubChem CID21093517
Molecular FormulaC14H11ClF3N3
Molecular Weight313.71 g/mol
Exact Mass313.06
IUPAC Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride
SMILESCl.NC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3.ClH/c15-14(16,17)8-5-6-10-9(7-8)13(18)20-12-4-2-1-3-11(12)19-10;/h1-7,19H,(H2,18,20);1H
InChIKeyKISHROATUQYCGC-UHFFFAOYSA-N
XLogP4.22
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride?
The IUPAC name of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride (CID 21093517) is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride.
What is the SMILES notation for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride?
The canonical SMILES for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride is Cl.NC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride?
The InChIKey is KISHROATUQYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3.ClH/c15-14(16,17)8-5-6-10-9(7-8)13(18)20-12-4-2-1-3-11(12)19-10;/h1-7,19H,(H2,18,20);1H.
What are the key properties of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride?
8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride has a molecular weight of 313.71 g/mol, XLogP of 4.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine;hydrochloride is sourced from PubChem (CID 21093517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).