N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate

C10H9F3NO- — CID 59280653

IUPACN,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate
SMILESC/N=C(\[O-])c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h3-5H,1-2H3,(H,14,15)/p-1
InChIKeyQTZBPVBTLIEXEO-UHFFFAOYSA-M
MW216.18 g/mol
LogP1.75
Rot. Bonds1

About N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate

N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate (PubChem CID 59280653) has the molecular formula C10H9F3NO- and a molecular weight of 216.18 g/mol. Its IUPAC name is N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate.

Molecular Properties

Compound NameN,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate
PubChem CID59280653
Molecular FormulaC10H9F3NO-
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC NameN,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate
SMILESC/N=C(\[O-])c1cc(C(F)(F)F)ccc1C
InChIInChI=1S/C10H10F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h3-5H,1-2H3,(H,14,15)/p-1
InChIKeyQTZBPVBTLIEXEO-UHFFFAOYSA-M
XLogP1.75
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate 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 N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate?
The IUPAC name of N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate (CID 59280653) is N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate.
What is the SMILES notation for N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate?
The canonical SMILES for N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate is C/N=C(\[O-])c1cc(C(F)(F)F)ccc1C.
What is the InChIKey of N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate?
The InChIKey is QTZBPVBTLIEXEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10F3NO/c1-6-3-4-7(10(11,12)13)5-8(6)9(15)14-2/h3-5H,1-2H3,(H,14,15)/p-1.
What are the key properties of N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate?
N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate has a molecular weight of 216.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-(trifluoromethyl)benzenecarboximidate is sourced from PubChem (CID 59280653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).