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

C14H10F3N3 — CID 21093518

IUPAC8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine
SMILESNC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3/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)
InChIKeyIGPUNAPSENYLKD-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.80
Rot. Bonds

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

8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine (PubChem CID 21093518) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine
PubChem CID21093518
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine
SMILESNC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H10F3N3/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)
InChIKeyIGPUNAPSENYLKD-UHFFFAOYSA-N
XLogP3.80
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.80
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?
The IUPAC name of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine (CID 21093518) is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine.
What is the SMILES notation for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine?
The canonical SMILES for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine is NC1=Nc2ccccc2Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine?
The InChIKey is IGPUNAPSENYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/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).
What are the key properties of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine?
8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepin-6-amine has a molecular weight of 277.25 g/mol, XLogP of 3.80, 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 is sourced from PubChem (CID 21093518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).