N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide

C14H20F3N3O — CID 106711134

IUPACN'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
SMILESCC(C)(CCCCNc1cc(F)c(F)cc1F)/C(N)=N/O
InChIInChI=1S/C14H20F3N3O/c1-14(2,13(18)20-21)5-3-4-6-19-12-8-10(16)9(15)7-11(12)17/h7-8,19,21H,3-6H2,1-2H3,(H2,18,20)
InChIKeyQMXDFSDNLAPTIO-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.46
Rot. Bonds7

About N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide

N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide (PubChem CID 106711134) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
PubChem CID106711134
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide
SMILESCC(C)(CCCCNc1cc(F)c(F)cc1F)/C(N)=N/O
InChIInChI=1S/C14H20F3N3O/c1-14(2,13(18)20-21)5-3-4-6-19-12-8-10(16)9(15)7-11(12)17/h7-8,19,21H,3-6H2,1-2H3,(H2,18,20)
InChIKeyQMXDFSDNLAPTIO-UHFFFAOYSA-N
XLogP3.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063764
6-(3-fluoro-4-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711027
6-(2-bromo-5-methylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711517
N'-hydroxy-2,2-dimethyl-4-(2,3,4-trifluoroanilino)butanimidamide
CID 77062052
5-(3-bromo-4-fluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 104779738
N'-hydroxy-2,2-dimethyl-6-(4-methylsulfanylanilino)hexanimidamide
CID 106710965
5-(4-fluoro-3-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063562
6-(2-ethylanilino)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711028
5-(2-bromo-4,6-difluoroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063638
N'-hydroxy-2,2-dimethyl-6-(methylamino)hexanimidamide
CID 106710924
5-(3,4-dimethylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063963
5-(4-chloro-2-iodoanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 107635920

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide (CID 106711134) is N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide is CC(C)(CCCCNc1cc(F)c(F)cc1F)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide?
The InChIKey is QMXDFSDNLAPTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-14(2,13(18)20-21)5-3-4-6-19-12-8-10(16)9(15)7-11(12)17/h7-8,19,21H,3-6H2,1-2H3,(H2,18,20).
What are the key properties of N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide has a molecular weight of 303.33 g/mol, XLogP of 3.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-(2,4,5-trifluoroanilino)hexanimidamide is sourced from PubChem (CID 106711134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).