N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide

C14H19F3N2O2 — CID 103283898

IUPACN'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCCCC(C)COc1ccc(C(F)(F)F)c(/C(N)=N/O)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-4-9(2)8-21-10-5-6-12(14(15,16)17)11(7-10)13(18)19-20/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19)
InChIKeySKKGNBNSSZSOSG-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.61
Rot. Bonds6

About N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide (PubChem CID 103283898) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide
PubChem CID103283898
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide
SMILESCCCC(C)COc1ccc(C(F)(F)F)c(/C(N)=N/O)c1
InChIInChI=1S/C14H19F3N2O2/c1-3-4-9(2)8-21-10-5-6-12(14(15,16)17)11(7-10)13(18)19-20/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19)
InChIKeySKKGNBNSSZSOSG-UHFFFAOYSA-N
XLogP3.61
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-(2-methylpentoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 103283887
4-butoxy-N'-hydroxy-2-(trifluoromethyl)benzenecarboximidamide
CID 43267718
2-amino-5-(2-methylpentoxy)benzamide
CID 103284498
2-(2-methylbutan-2-yl)-5-(2-methylpentoxy)benzoic acid
CID 138657502
3,5-difluoro-N'-hydroxy-4-(2-methylpentoxy)benzenecarboximidamide
CID 103283904
5-pentan-2-yloxy-2-(trifluoromethyl)benzenecarboximidamide
CID 102982109
N'-hydroxy-3,5-dimethyl-4-(2-methylpentoxy)benzenecarboximidamide
CID 77068937
(NE)-N-[1-[4-methoxy-2-(2-methylpentoxy)phenyl]ethylidene]hydroxylamine
CID 82001926
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
1-[2-chloro-4-(2-methylpentoxy)phenyl]ethanamine
CID 103284016
1-amino-1-[2-fluoro-4-(2-methylpentoxy)phenyl]-2-methylpropan-2-ol
CID 170640580
2-bromo-1-fluoro-4-(2-methylpentoxy)benzene
CID 83233407

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide (CID 103283898) is N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide is CCCC(C)COc1ccc(C(F)(F)F)c(/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is SKKGNBNSSZSOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-3-4-9(2)8-21-10-5-6-12(14(15,16)17)11(7-10)13(18)19-20/h5-7,9,20H,3-4,8H2,1-2H3,(H2,18,19).
What are the key properties of N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 304.31 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2-methylpentoxy)-2-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 103283898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).