4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline

C11H9FN2O3 — CID 43218082

IUPAC4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccco1
InChIInChI=1S/C11H9FN2O3/c12-8-3-4-10(11(6-8)14(15)16)13-7-9-2-1-5-17-9/h1-6,13H,7H2
InChIKeyZVTHELITAIPIKH-UHFFFAOYSA-N
MW236.20 g/mol
LogP2.94
Rot. Bonds4

About 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline

4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline (PubChem CID 43218082) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
PubChem CID43218082
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
SMILESO=[N+]([O-])c1cc(F)ccc1NCc1ccco1
InChIInChI=1S/C11H9FN2O3/c12-8-3-4-10(11(6-8)14(15)16)13-7-9-2-1-5-17-9/h1-6,13H,7H2
InChIKeyZVTHELITAIPIKH-UHFFFAOYSA-N
XLogP2.94
TPSA68.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetamide
CID 4831855
5-[(4-fluoro-2-nitroanilino)methyl]furan-3-carboxylic acid
CID 104608316
4-fluoro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 43218044
4-fluoro-N-[[5-(methylsulfanylmethyl)furan-2-yl]methyl]-2-nitroaniline
CID 43781463
2-[[4-(furan-2-ylmethylamino)-3-nitrophenyl]sulfonylamino]acetate
CID 7063211
4-fluoro-2-nitro-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328916
N-[(4-chlorophenyl)methyl]-4-fluoro-2-nitroaniline
CID 14952976
4-fluoro-2-nitro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62760174
N-[(5-ethylthiophen-2-yl)methyl]-4-fluoro-2-nitroaniline
CID 60966044
4-bromo-N-[2-(furan-2-yl)ethyl]-2-nitroaniline
CID 55362529
4-fluoro-N-[(5-methylthiophen-2-yl)methyl]-2-nitroaniline
CID 43685252
N-(furan-2-ylmethyl)-5-nitroisoquinolin-8-amine
CID 103141136

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline (CID 43218082) is 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline is O=[N+]([O-])c1cc(F)ccc1NCc1ccco1.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline?
The InChIKey is ZVTHELITAIPIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-8-3-4-10(11(6-8)14(15)16)13-7-9-2-1-5-17-9/h1-6,13H,7H2.
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline?
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline has a molecular weight of 236.20 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline is sourced from PubChem (CID 43218082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).