N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

C10H4BrClF8N2 — CID 15509909

IUPACN'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESN/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4BrClF8N2/c11-4-1-3(9(15,16)17)2-5(12)6(4)22-7(21)8(13,14)10(18,19)20/h1-2H,(H2,21,22)
InChIKeyUQNGESPZPDWWNG-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.31
Rot. Bonds2

About N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide

N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (PubChem CID 15509909) has the molecular formula C10H4BrClF8N2 and a molecular weight of 419.50 g/mol. Its IUPAC name is N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.

Molecular Properties

Compound NameN'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
PubChem CID15509909
Molecular FormulaC10H4BrClF8N2
Molecular Weight419.50 g/mol
Exact Mass417.91
IUPAC NameN'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
SMILESN/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Br)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4BrClF8N2/c11-4-1-3(9(15,16)17)2-5(12)6(4)22-7(21)8(13,14)10(18,19)20/h1-2H,(H2,21,22)
InChIKeyUQNGESPZPDWWNG-UHFFFAOYSA-N
XLogP5.31
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

2-Bromo-6-chloro-4-(trifluoromethyl)aniline
CID 737196
2-Bromo-6-chloro-4-(trifluoromethyl)benzenediazonium;tetrafluoroborate
CID 13851618
2-Bromo-6-chloro-4-(trifluoromethyl)benzenediazonium
CID 13851619
N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide
CID 15509914
N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide
CID 22617169
1-Bromo-3-chloro-2-isocyano-5-(trifluoromethyl)benzene
CID 66524033
2-Bromo-6-chloro-4-(1,2,2,3,3,3-hexafluoro-1-trifluoromethyl-propyl)phenylamine
CID 86665276
2-Bromo-6-chloro-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline
CID 87088086
2-Bromo-6-chloro-4-(2,3,3,4,4,4-hexafluorobutan-2-yl)aniline
CID 89212733
2-Bromo-6-chloro-4-(1,1,1,2,4,4,4-heptafluorobutan-2-yl)aniline
CID 91559891
2-Bromo-6-chloro-4-(1,1,1,2,3,3,4-heptafluorobutan-2-yl)aniline
CID 117676151
2-Bromo-6-chloro-4-(1,1,1,2-tetrafluoropropan-2-yl)aniline
CID 118445858

Frequently Asked Questions

What is the IUPAC name of N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The IUPAC name of N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide (CID 15509909) is N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide.
What is the SMILES notation for N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The canonical SMILES for N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is N/C(=N\c1c(Cl)cc(C(F)(F)F)cc1Br)C(F)(F)C(F)(F)F.
What is the InChIKey of N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
The InChIKey is UQNGESPZPDWWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4BrClF8N2/c11-4-1-3(9(15,16)17)2-5(12)6(4)22-7(21)8(13,14)10(18,19)20/h1-2H,(H2,21,22).
What are the key properties of N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide?
N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide has a molecular weight of 419.50 g/mol, XLogP of 5.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-bromo-6-chloro-4-(trifluoromethyl)phenyl]-2,2,3,3,3-pentafluoropropanimidamide is sourced from PubChem (CID 15509909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).