2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide

C9H4Cl3F5N2 — CID 15906753

IUPAC2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide
SMILESN/C(=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)Cl
InChIInChI=1S/C9H4Cl3F5N2/c10-4-1-3(9(15,16)17)2-5(11)6(4)19-7(18)8(12,13)14/h1-2H,(H2,18,19)
InChIKeyXYHDJHMMVRSYEA-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.83
Rot. Bonds2

About 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide

2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide (PubChem CID 15906753) has the molecular formula C9H4Cl3F5N2 and a molecular weight of 341.49 g/mol. Its IUPAC name is 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide
PubChem CID15906753
Molecular FormulaC9H4Cl3F5N2
Molecular Weight341.49 g/mol
Exact Mass339.94
IUPAC Name2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide
SMILESN/C(=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)Cl
InChIInChI=1S/C9H4Cl3F5N2/c10-4-1-3(9(15,16)17)2-5(11)6(4)19-7(18)8(12,13)14/h1-2H,(H2,18,19)
InChIKeyXYHDJHMMVRSYEA-UHFFFAOYSA-N
XLogP4.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanimidamide
CID 15509917
2,2-dichloro-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 22617187
1-(diaminomethylidene)-2-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]guanidine
CID 168601751
N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
CID 22617151
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-ethylguanidine
CID 63667290
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
diaminomethylidene-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylazanium
CID 6977612
2,2-dibromo-N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-fluoroethanimidamide
CID 15906757
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide?
The IUPAC name of 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide (CID 15906753) is 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide?
The canonical SMILES for 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide is N/C(=N/c1c(Cl)cc(C(F)(F)F)cc1Cl)C(F)(F)Cl.
What is the InChIKey of 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide?
The InChIKey is XYHDJHMMVRSYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3F5N2/c10-4-1-3(9(15,16)17)2-5(11)6(4)19-7(18)8(12,13)14/h1-2H,(H2,18,19).
What are the key properties of 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide?
2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide has a molecular weight of 341.49 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide is sourced from PubChem (CID 15906753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).