8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine

C14H9F3N2 — CID 18690870

IUPAC8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
SMILESFC(F)(F)c1ccc2c(c1)C=Nc1ccccc1N2
InChIInChI=1S/C14H9F3N2/c15-14(16,17)10-5-6-11-9(7-10)8-18-12-3-1-2-4-13(12)19-11/h1-8,19H
InChIKeyHVCMTFANSIAXGJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP4.51
Rot. Bonds

About 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine

8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine (PubChem CID 18690870) has the molecular formula C14H9F3N2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
PubChem CID18690870
Molecular FormulaC14H9F3N2
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine
SMILESFC(F)(F)c1ccc2c(c1)C=Nc1ccccc1N2
InChIInChI=1S/C14H9F3N2/c15-14(16,17)10-5-6-11-9(7-10)8-18-12-3-1-2-4-13(12)19-11/h1-8,19H
InChIKeyHVCMTFANSIAXGJ-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine?
The IUPAC name of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine (CID 18690870) is 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine.
What is the SMILES notation for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine?
The canonical SMILES for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine is FC(F)(F)c1ccc2c(c1)C=Nc1ccccc1N2.
What is the InChIKey of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine?
The InChIKey is HVCMTFANSIAXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2/c15-14(16,17)10-5-6-11-9(7-10)8-18-12-3-1-2-4-13(12)19-11/h1-8,19H.
What are the key properties of 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine?
8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine has a molecular weight of 262.23 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-11H-benzo[b][1,4]benzodiazepine is sourced from PubChem (CID 18690870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).