2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide

C13H10FN3O3 — CID 79017446

IUPAC2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O3/c14-10-2-1-3-11(12(10)13(15)16)20-9-6-4-8(5-7-9)17(18)19/h1-7H,(H3,15,16)
InChIKeyCARKBUCLILMUQK-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.81
Rot. Bonds4

About 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide

2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide (PubChem CID 79017446) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
PubChem CID79017446
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H10FN3O3/c14-10-2-1-3-11(12(10)13(15)16)20-9-6-4-8(5-7-9)17(18)19/h1-7H,(H3,15,16)
InChIKeyCARKBUCLILMUQK-UHFFFAOYSA-N
XLogP2.81
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.81
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanone
CID 60678624
2-(4-ethylphenoxy)-6-fluorobenzenecarboximidamide
CID 79520315
2-fluoro-6-pyridin-3-yloxybenzenecarboximidamide
CID 79522129
(1R)-1-[2-fluoro-6-(4-nitrophenoxy)phenyl]ethanamine
CID 63369973
2-chloro-6-(2-chloro-5-nitrophenoxy)benzenecarboximidamide
CID 63992956
2-fluoro-6-(2-methylphenoxy)benzenecarboximidamide
CID 79520393
3-bromo-4-(4-nitrophenoxy)benzenecarboximidamide
CID 82799547
2-(2-chlorophenoxy)-6-fluorobenzenecarboximidamide;hydrochloride
CID 82240764
2-fluoro-6-[3-(methoxymethyl)phenoxy]benzenecarboximidamide
CID 79523185
2-bromo-6-(3-methyl-4-nitrophenoxy)benzenecarboximidamide
CID 114884047
2-fluoro-6-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712612
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide (CID 79017446) is 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide?
The InChIKey is CARKBUCLILMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-10-2-1-3-11(12(10)13(15)16)20-9-6-4-8(5-7-9)17(18)19/h1-7H,(H3,15,16).
What are the key properties of 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide?
2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide has a molecular weight of 275.24 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-nitrophenoxy)benzenecarboximidamide is sourced from PubChem (CID 79017446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).