N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide

C10H9Cl2F3N2 — CID 70171088

IUPACN'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide
SMILESCN(C)/C(=N/c1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2/c1-17(2)9(10(13,14)15)16-8-6(11)4-3-5-7(8)12/h3-5H,1-2H3/b16-9+
InChIKeyHPTCEZNGRDXQKW-CXUHLZMHSA-N
MW285.10 g/mol
LogP4.15
Rot. Bonds1

About N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide

N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide (PubChem CID 70171088) has the molecular formula C10H9Cl2F3N2 and a molecular weight of 285.10 g/mol. Its IUPAC name is N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide
PubChem CID70171088
Molecular FormulaC10H9Cl2F3N2
Molecular Weight285.10 g/mol
Exact Mass284.01
IUPAC NameN'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide
SMILESCN(C)/C(=N/c1c(Cl)cccc1Cl)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3N2/c1-17(2)9(10(13,14)15)16-8-6(11)4-3-5-7(8)12/h3-5H,1-2H3/b16-9+
InChIKeyHPTCEZNGRDXQKW-CXUHLZMHSA-N
XLogP4.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The IUPAC name of N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide (CID 70171088) is N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The canonical SMILES for N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide is CN(C)/C(=N/c1c(Cl)cccc1Cl)C(F)(F)F.
What is the InChIKey of N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide?
The InChIKey is HPTCEZNGRDXQKW-CXUHLZMHSA-N. The full InChI is InChI=1S/C10H9Cl2F3N2/c1-17(2)9(10(13,14)15)16-8-6(11)4-3-5-7(8)12/h3-5H,1-2H3/b16-9+.
What are the key properties of N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide?
N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide has a molecular weight of 285.10 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dichlorophenyl)-2,2,2-trifluoro-N,N-dimethylethanimidamide is sourced from PubChem (CID 70171088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).