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

C10H9F3N2 — CID 175060030

IUPAC5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFC(F)(F)C1=NCCNc2ccccc21
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-7-3-1-2-4-8(7)14-5-6-15-9/h1-4,14H,5-6H2
InChIKeyMSZVARIKPKDRGS-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.46
Rot. Bonds

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

5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine (PubChem CID 175060030) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
PubChem CID175060030
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine
SMILESFC(F)(F)C1=NCCNc2ccccc21
InChIInChI=1S/C10H9F3N2/c11-10(12,13)9-7-3-1-2-4-8(7)14-5-6-15-9/h1-4,14H,5-6H2
InChIKeyMSZVARIKPKDRGS-UHFFFAOYSA-N
XLogP2.46
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine (CID 175060030) is 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine is FC(F)(F)C1=NCCNc2ccccc21.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
The InChIKey is MSZVARIKPKDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-10(12,13)9-7-3-1-2-4-8(7)14-5-6-15-9/h1-4,14H,5-6H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine?
5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine has a molecular weight of 214.19 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 175060030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).