8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

C14H9F3N2O — CID 18690864

IUPAC8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESO=C1Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)8-5-6-10-9(7-8)13(20)19-12-4-2-1-3-11(12)18-10/h1-7,18H,(H,19,20)
InChIKeyMDCSKDAPXHDHRW-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.01
Rot. Bonds

About 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one

8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (PubChem CID 18690864) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
PubChem CID18690864
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
SMILESO=C1Nc2ccccc2Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)8-5-6-10-9(7-8)13(20)19-12-4-2-1-3-11(12)18-10/h1-7,18H,(H,19,20)
InChIKeyMDCSKDAPXHDHRW-UHFFFAOYSA-N
XLogP4.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The IUPAC name of 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one (CID 18690864) is 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is O=C1Nc2ccccc2Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
The InChIKey is MDCSKDAPXHDHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)8-5-6-10-9(7-8)13(20)19-12-4-2-1-3-11(12)18-10/h1-7,18H,(H,19,20).
What are the key properties of 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one?
8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one has a molecular weight of 278.23 g/mol, XLogP of 4.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one is sourced from PubChem (CID 18690864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).