5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine

C16H13F3N2 — CID 17912

IUPAC5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCCN2
InChIInChI=1S/C16H13F3N2/c17-16(18,19)12-6-7-14-13(10-12)15(21-9-8-20-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyUVIWKJUMUWEHQO-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.97
Rot. Bonds1

About 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine

5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 17912) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID17912
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCCN2
InChIInChI=1S/C16H13F3N2/c17-16(18,19)12-6-7-14-13(10-12)15(21-9-8-20-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2
InChIKeyUVIWKJUMUWEHQO-UHFFFAOYSA-N
XLogP3.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine (CID 17912) is 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine is FC(F)(F)c1ccc2c(c1)C(c1ccccc1)=NCCN2.
What is the InChIKey of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is UVIWKJUMUWEHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c17-16(18,19)12-6-7-14-13(10-12)15(21-9-8-20-14)11-4-2-1-3-5-11/h1-7,10,20H,8-9H2.
What are the key properties of 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 290.29 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 17912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).