2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide

C10H13FN2O2 — CID 74881969

IUPAC2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C10H13FN2O2/c1-6(2)15-8-5-3-4-7(11)9(8)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyJZKUGLUBQSAZPF-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.71
Rot. Bonds3

About 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide

2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide (PubChem CID 74881969) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
PubChem CID74881969
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide
SMILESCC(C)Oc1cccc(F)c1C(N)=NO
InChIInChI=1S/C10H13FN2O2/c1-6(2)15-8-5-3-4-7(11)9(8)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13)
InChIKeyJZKUGLUBQSAZPF-UHFFFAOYSA-N
XLogP1.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.71
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

2,6-difluoro-N'-hydroxybenzenecarboximidamide
CID 3492978
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-fluoro-6-(4-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 79519799
2,6-bis(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 11402917
2-fluoro-N'-hydroxy-6-propan-2-ylsulfanylbenzenecarboximidamide
CID 79522692
2-(4-chlorophenoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79519262
2-[(5-ethylthiophen-2-yl)methoxy]-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 43609289
2-fluoro-N'-hydroxy-6-(2-phenoxyethoxy)benzenecarboximidamide
CID 76914452
2-fluoro-N'-hydroxy-6-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 74881945
2-fluoro-N'-hydroxy-6-(2-methoxy-4-methylphenoxy)benzenecarboximidamide
CID 79517129
2-(2-ethylcyclohexyl)oxy-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 77008777
2-fluoro-N'-hydroxy-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79517922

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide?
The IUPAC name of 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide (CID 74881969) is 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide?
The canonical SMILES for 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide is CC(C)Oc1cccc(F)c1C(N)=NO.
What is the InChIKey of 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide?
The InChIKey is JZKUGLUBQSAZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6(2)15-8-5-3-4-7(11)9(8)10(12)13-14/h3-6,14H,1-2H3,(H2,12,13).
What are the key properties of 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide?
2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide has a molecular weight of 212.22 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-hydroxy-6-propan-2-yloxybenzenecarboximidamide is sourced from PubChem (CID 74881969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).