4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide

C9H10FN3O4 — CID 80695376

IUPAC4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCF)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O4/c10-3-4-17-8-2-1-6(9(11)12-14)5-7(8)13(15)16/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeySZRGKNNADPEJPV-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.04
Rot. Bonds5

About 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide

4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide (PubChem CID 80695376) has the molecular formula C9H10FN3O4 and a molecular weight of 243.19 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
PubChem CID80695376
Molecular FormulaC9H10FN3O4
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCF)c([N+](=O)[O-])c1
InChIInChI=1S/C9H10FN3O4/c10-3-4-17-8-2-1-6(9(11)12-14)5-7(8)13(15)16/h1-2,5,14H,3-4H2,(H2,11,12)
InChIKeySZRGKNNADPEJPV-UHFFFAOYSA-N
XLogP1.04
TPSA110.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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

4-(2-ethoxyethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76922536
N'-hydroxy-4-(2-methylbutan-2-yloxy)-3-nitrobenzenecarboximidamide
CID 76935052
4-(4-bromophenoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76935020
N'-hydroxy-4-(2-hydroxyphenoxy)-3-nitrobenzenecarboximidamide
CID 73050036
4-(2-aminoethoxy)-3-nitrobenzoic acid
CID 69332360
4-cycloheptyloxy-N'-hydroxy-3-nitrobenzenecarboximidamide
CID 76934909
5-(4-fluoro-2-nitrophenoxy)-N'-hydroxypentanimidamide
CID 55068583
N'-hydroxy-4-(2-methylphenoxy)-3-nitrobenzenecarboximidamide
CID 76935049
N'-hydroxy-5-(4-methyl-2-nitrophenoxy)pentanimidamide
CID 109374785
3-(4-ethyl-2-nitrophenoxy)-N'-hydroxypropanimidamide
CID 77022770
(E)-3-[4-(2-fluoroethoxy)-3-nitrophenyl]prop-2-enoic acid
CID 80694288
4-(3-cyanopropoxy)-3-nitrobenzamide
CID 56636940

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The IUPAC name of 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide (CID 80695376) is 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide.
What is the SMILES notation for 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The canonical SMILES for 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is N/C(=N/O)c1ccc(OCCF)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
The InChIKey is SZRGKNNADPEJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O4/c10-3-4-17-8-2-1-6(9(11)12-14)5-7(8)13(15)16/h1-2,5,14H,3-4H2,(H2,11,12).
What are the key properties of 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide?
4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide has a molecular weight of 243.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-N'-hydroxy-3-nitrobenzenecarboximidamide is sourced from PubChem (CID 80695376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).