N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide

C9H8BrF3N2O — CID 103193628

IUPACN'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O/c1-5(14)15-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H2,14,15)
InChIKeyFAFAXTIJONAWLV-UHFFFAOYSA-N
MW297.07 g/mol
LogP3.36
Rot. Bonds2

About N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide

N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide (PubChem CID 103193628) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide
PubChem CID103193628
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC NameN'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(Br)cc1OC(F)(F)F
InChIInChI=1S/C9H8BrF3N2O/c1-5(14)15-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H2,14,15)
InChIKeyFAFAXTIJONAWLV-UHFFFAOYSA-N
XLogP3.36
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 53.36
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'}

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Related Compounds

N'-[4-bromo-2-(trifluoromethoxy)phenyl]-2-chloroethanimidamide
CID 169369701
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
1-azido-4-bromo-2-(trifluoromethoxy)benzene
CID 150673449
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
5-bromo-2-(trifluoromethoxy)benzamide
CID 155804273
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
4-bromo-2-(trifluoromethoxy)benzoic acid
CID 16665572
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2-(2-methylpropyl)guanidine
CID 103193610
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
2-[[4-bromo-2-(trifluoromethoxy)phenyl]sulfonylamino]-2-methylpropanamide
CID 141430379
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
4-bromo-N-(3-methylbut-2-enyl)-2-(trifluoromethoxy)aniline
CID 107900413

Frequently Asked Questions

What is the IUPAC name of N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide?
The IUPAC name of N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide (CID 103193628) is N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide?
The canonical SMILES for N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide is C/C(N)=N\c1ccc(Br)cc1OC(F)(F)F.
What is the InChIKey of N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide?
The InChIKey is FAFAXTIJONAWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c1-5(14)15-7-3-2-6(10)4-8(7)16-9(11,12)13/h2-4H,1H3,(H2,14,15).
What are the key properties of N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide?
N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide has a molecular weight of 297.07 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 103193628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).