4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C12H15F3N2O2 — CID 115468073

IUPAC4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESCCC(C)Oc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-3-7(2)19-10-5-4-8(11(16)17-18)6-9(10)12(13,14)15/h4-7,18H,3H2,1-2H3,(H2,16,17)
InChIKeyRWMICHWYCZZKSX-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.98
Rot. Bonds4

About 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 115468073) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID115468073
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESCCC(C)Oc1ccc(/C(N)=N/O)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c1-3-7(2)19-10-5-4-8(11(16)17-18)6-9(10)12(13,14)15/h4-7,18H,3H2,1-2H3,(H2,16,17)
InChIKeyRWMICHWYCZZKSX-UHFFFAOYSA-N
XLogP2.98
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.98
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-4-(2-methylpropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468067
3-bromo-4-butan-2-yloxy-N'-hydroxybenzenecarboximidamide
CID 82800140
N'-hydroxy-4-(3-methoxypropoxy)-3-(trifluoromethyl)benzenecarboximidamide
CID 115468061
4-[(2R)-butan-2-yl]oxy-N'-hydroxybenzenecarboximidamide
CID 156537629
4-but-3-enoxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 166763610
4-[(2S)-butan-2-yl]oxy-3-(trifluoromethyl)benzonitrile
CID 18446951
4-bromo-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 154405509
N',4-dihydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 136967966
2-[4-carbamoyl-2-(trifluoromethyl)phenoxy]butanoic acid
CID 115467582
N'-hydroxy-4-methyl-3-pentan-2-yloxybenzenecarboximidamide
CID 107892897
N'-hydroxy-4-iodo-3-(trifluoromethyl)benzenecarboximidamide
CID 154660722
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 115468073) is 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is CCC(C)Oc1ccc(/C(N)=N/O)cc1C(F)(F)F.
What is the InChIKey of 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is RWMICHWYCZZKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-7(2)19-10-5-4-8(11(16)17-18)6-9(10)12(13,14)15/h4-7,18H,3H2,1-2H3,(H2,16,17).
What are the key properties of 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 276.26 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 115468073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).