4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide

C10H11FN2O3 — CID 175174657

IUPAC4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2OCCO2)cc1F
InChIInChI=1S/C10H11FN2O3/c11-8-5-6(10-15-3-4-16-10)1-2-7(8)9(12)13-14/h1-2,5,10,14H,3-4H2,(H2,12,13)
InChIKeyBUAOTXKBKJGJPO-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.97
Rot. Bonds2

About 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide

4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 175174657) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID175174657
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide
SMILESNC(=NO)c1ccc(C2OCCO2)cc1F
InChIInChI=1S/C10H11FN2O3/c11-8-5-6(10-15-3-4-16-10)1-2-7(8)9(12)13-14/h1-2,5,10,14H,3-4H2,(H2,12,13)
InChIKeyBUAOTXKBKJGJPO-UHFFFAOYSA-N
XLogP0.97
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide (CID 175174657) is 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide is NC(=NO)c1ccc(C2OCCO2)cc1F.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is BUAOTXKBKJGJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-8-5-6(10-15-3-4-16-10)1-2-7(8)9(12)13-14/h1-2,5,10,14H,3-4H2,(H2,12,13).
What are the key properties of 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide?
4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 226.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-2-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 175174657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).