N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

C10H4Cl2F8N2O — CID 22617151

IUPACN'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESN/C(=N\c1c(Cl)cc(OC(F)(F)F)cc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4Cl2F8N2O/c11-4-1-3(23-10(18,19)20)2-5(12)6(4)22-7(21)8(13,14)9(15,16)17/h1-2H,(H2,21,22)
InChIKeyFZGMTZBMWWKAJE-UHFFFAOYSA-N
MW391.05 g/mol
LogP5.08
Rot. Bonds3

About N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (PubChem CID 22617151) has the molecular formula C10H4Cl2F8N2O and a molecular weight of 391.05 g/mol. Its IUPAC name is N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.

Molecular Properties

Compound NameN'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
PubChem CID22617151
Molecular FormulaC10H4Cl2F8N2O
Molecular Weight391.05 g/mol
Exact Mass389.96
IUPAC NameN'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESN/C(=N\c1c(Cl)cc(OC(F)(F)F)cc1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4Cl2F8N2O/c11-4-1-3(23-10(18,19)20)2-5(12)6(4)22-7(21)8(13,14)9(15,16)17/h1-2H,(H2,21,22)
InChIKeyFZGMTZBMWWKAJE-UHFFFAOYSA-N
XLogP5.08
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.05
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The IUPAC name of N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (CID 22617151) is N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.
What is the SMILES notation for N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The canonical SMILES for N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is N/C(=N\c1c(Cl)cc(OC(F)(F)F)cc1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The InChIKey is FZGMTZBMWWKAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2F8N2O/c11-4-1-3(23-10(18,19)20)2-5(12)6(4)22-7(21)8(13,14)9(15,16)17/h1-2H,(H2,21,22).
What are the key properties of N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide has a molecular weight of 391.05 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is sourced from PubChem (CID 22617151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).