4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide

C12H17FN2O — CID 88890533

IUPAC4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)C(C)(F)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C12H17FN2O/c1-8(2)12(3,13)10-6-4-9(5-7-10)11(14)15-16/h4-8,16H,1-3H3,(H2,14,15)
InChIKeyFPKJCACSLNUKKM-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide

4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide (PubChem CID 88890533) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide
PubChem CID88890533
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide
SMILESCC(C)C(C)(F)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C12H17FN2O/c1-8(2)12(3,13)10-6-4-9(5-7-10)11(14)15-16/h4-8,16H,1-3H3,(H2,14,15)
InChIKeyFPKJCACSLNUKKM-UHFFFAOYSA-N
XLogP2.62
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide (CID 88890533) is 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide is CC(C)C(C)(F)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is FPKJCACSLNUKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-8(2)12(3,13)10-6-4-9(5-7-10)11(14)15-16/h4-8,16H,1-3H3,(H2,14,15).
What are the key properties of 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide?
4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 224.28 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylbutan-2-yl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 88890533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).