3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide

C10H11FN2O2 — CID 138612160

IUPAC3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NOC)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H11FN2O2/c1-12-10(13-15-2)7-3-4-8(6-14)9(11)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyKWPSTTOAFCPZBB-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.17
Rot. Bonds3

About 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide

3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide (PubChem CID 138612160) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide
PubChem CID138612160
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide
SMILESC/N=C(\NOC)c1ccc(C=O)c(F)c1
InChIInChI=1S/C10H11FN2O2/c1-12-10(13-15-2)7-3-4-8(6-14)9(11)5-7/h3-6H,1-2H3,(H,12,13)
InChIKeyKWPSTTOAFCPZBB-UHFFFAOYSA-N
XLogP1.17
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide?
The IUPAC name of 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide (CID 138612160) is 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide is C/N=C(\NOC)c1ccc(C=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide?
The InChIKey is KWPSTTOAFCPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-12-10(13-15-2)7-3-4-8(6-14)9(11)5-7/h3-6H,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide?
3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide has a molecular weight of 210.21 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide is sourced from PubChem (CID 138612160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).