4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C12H13F3N2O2 — CID 166763610

IUPAC4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESC=CCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-3-6-19-10-5-4-8(11(16)17-18)7-9(10)12(13,14)15/h2,4-5,7,18H,1,3,6H2,(H2,16,17)
InChIKeyXJTKYVSNFXDMAG-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.75
Rot. Bonds5

About 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 166763610) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID166763610
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESC=CCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-2-3-6-19-10-5-4-8(11(16)17-18)7-9(10)12(13,14)15/h2,4-5,7,18H,1,3,6H2,(H2,16,17)
InChIKeyXJTKYVSNFXDMAG-UHFFFAOYSA-N
XLogP2.75
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
N'-hydroxy-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 115468073
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
N'-hydroxy-4-iodo-3-(trifluoromethyl)benzenecarboximidamide
CID 154660722
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
methyl N-[(Z)-1-[4-but-3-enoxy-3-(trifluoromethyl)phenyl]prop-1-enyl]-1-carbamimidoylpyrrolidine-2-carboximidate
CID 145056629
2-amino-2-[2-[4-hex-5-enoxy-3-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol
CID 89142973
N'-hydroxy-3-methoxy-4-(2-methoxyethoxy)benzenecarboximidamide
CID 24691682
N'-hydroxy-4-phenyl-3-(trifluoromethyl)benzenecarboximidamide
CID 87478935

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 166763610) is 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is C=CCCOc1ccc(/C(N)=N/O)cc1C(F)(F)F.
What is the InChIKey of 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is XJTKYVSNFXDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-2-3-6-19-10-5-4-8(11(16)17-18)7-9(10)12(13,14)15/h2,4-5,7,18H,1,3,6H2,(H2,16,17).
What are the key properties of 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 274.24 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 166763610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).