3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide

C9H10F2N2O2 — CID 155020410

IUPAC3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCC(F)(F)Oc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)15-7-4-2-3-6(5-7)8(12)13-14/h2-5,14H,1H3,(H2,12,13)
InChIKeyRYQCJVFSOIYTOH-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.77
Rot. Bonds3

About 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide

3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 155020410) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID155020410
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide
SMILESCC(F)(F)Oc1cccc(/C(N)=N/O)c1
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)15-7-4-2-3-6(5-7)8(12)13-14/h2-5,14H,1H3,(H2,12,13)
InChIKeyRYQCJVFSOIYTOH-UHFFFAOYSA-N
XLogP1.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.77
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

3-(3,3-dimethylbutoxy)-N'-hydroxybenzenecarboximidamide
CID 109374361
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
CID 609330
N'-hydroxy-3-(2-methylpropoxy)benzenecarboximidamide
CID 24698660
3-(ethoxymethoxy)-N'-hydroxybenzenecarboximidamide
CID 77066586
N'-hydroxy-3-(2-hydroxypropoxy)benzenecarboximidamide
CID 141009945
3-decoxy-N'-hydroxybenzenecarboximidamide
CID 76997791
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
N'-hydroxy-3-pentan-2-yloxybenzenecarboximidamide
CID 107892882
3-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403778
N'-hydroxy-3-[(3-methoxyphenoxy)methyl]benzenecarboximidamide
CID 24699055
4-fluoro-N'-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 123403240
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide (CID 155020410) is 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide is CC(F)(F)Oc1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is RYQCJVFSOIYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-9(10,11)15-7-4-2-3-6(5-7)8(12)13-14/h2-5,14H,1H3,(H2,12,13).
What are the key properties of 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide?
3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 216.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 155020410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).