5-(trifluoromethyl)-1,3-benzodiazepin-2-one

C10H5F3N2O — CID 54457645

IUPAC5-(trifluoromethyl)-1,3-benzodiazepin-2-one
SMILESO=c1ncc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C10H5F3N2O/c11-10(12,13)7-5-14-9(16)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyWZISAQAQIOMROT-UHFFFAOYSA-N
MW226.16 g/mol
LogP2.01
Rot. Bonds

About 5-(trifluoromethyl)-1,3-benzodiazepin-2-one

5-(trifluoromethyl)-1,3-benzodiazepin-2-one (PubChem CID 54457645) has the molecular formula C10H5F3N2O and a molecular weight of 226.16 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,3-benzodiazepin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,3-benzodiazepin-2-one
PubChem CID54457645
Molecular FormulaC10H5F3N2O
Molecular Weight226.16 g/mol
Exact Mass226.04
IUPAC Name5-(trifluoromethyl)-1,3-benzodiazepin-2-one
SMILESO=c1ncc(C(F)(F)F)c2ccccc2n1
InChIInChI=1S/C10H5F3N2O/c11-10(12,13)7-5-14-9(16)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyWZISAQAQIOMROT-UHFFFAOYSA-N
XLogP2.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Trifluoromethyl)benzimidazol-2-one
CID 15027773
5-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 53752135
4-(Trifluoromethyl)-1,3-benzodiazepin-2-one
CID 54153964
7-(Trifluoromethyl)-1,4-benzodiazepin-2-one
CID 153743194
2,2-Difluoro-1,3-benzodiazepine
CID 153938563
4-Methyl-5-(trifluoromethyl)-1,3-benzodiazepin-2-one
CID 76105892
1,3-Benzodiazepin-2-one
CID 22227760
Indeno[2,1-d]pyrimidin-2-one
CID 88497651
8H-quinazolin-2-one
CID 152745362
Cyclohepta[d]pyrimidin-2-one
CID 171853942

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,3-benzodiazepin-2-one?
The IUPAC name of 5-(trifluoromethyl)-1,3-benzodiazepin-2-one (CID 54457645) is 5-(trifluoromethyl)-1,3-benzodiazepin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-1,3-benzodiazepin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-1,3-benzodiazepin-2-one is O=c1ncc(C(F)(F)F)c2ccccc2n1.
What is the InChIKey of 5-(trifluoromethyl)-1,3-benzodiazepin-2-one?
The InChIKey is WZISAQAQIOMROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O/c11-10(12,13)7-5-14-9(16)15-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 5-(trifluoromethyl)-1,3-benzodiazepin-2-one?
5-(trifluoromethyl)-1,3-benzodiazepin-2-one has a molecular weight of 226.16 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,3-benzodiazepin-2-one is sourced from PubChem (CID 54457645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).