4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline

C13H13FN2O4 — CID 133336556

IUPAC4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
SMILESCOCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H13FN2O4/c1-19-8-11(13-3-2-6-20-13)15-10-5-4-9(14)7-12(10)16(17)18/h2-7,11,15H,8H2,1H3
InChIKeyRUOLSVBSUGIZFE-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.13
Rot. Bonds6

About 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline

4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline (PubChem CID 133336556) has the molecular formula C13H13FN2O4 and a molecular weight of 280.26 g/mol. Its IUPAC name is 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
PubChem CID133336556
Molecular FormulaC13H13FN2O4
Molecular Weight280.26 g/mol
Exact Mass280.09
IUPAC Name4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline
SMILESCOCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccco1
InChIInChI=1S/C13H13FN2O4/c1-19-8-11(13-3-2-6-20-13)15-10-5-4-9(14)7-12(10)16(17)18/h2-7,11,15H,8H2,1H3
InChIKeyRUOLSVBSUGIZFE-UHFFFAOYSA-N
XLogP3.13
TPSA77.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(furan-2-yl)-2-methoxyethyl]-3-methyl-4-nitroaniline
CID 133429012
1-[4-[[(1R)-1-(furan-2-yl)-3-methoxypropyl]amino]-3-nitrophenyl]ethanone
CID 97346178
N-[1-(furan-2-yl)-2-methoxyethyl]-5-methyl-3-nitropyridin-2-amine
CID 133336629
4-fluoro-2-nitro-N-pentan-3-ylaniline
CID 43218109
N-[2-methoxy-1-(5-methylfuran-2-yl)ethyl]-4-methyl-2-nitroaniline
CID 133346825
4-fluoro-N-(furan-2-ylmethyl)-2-nitroaniline
CID 43218082
3-(furan-2-yl)-3-(4-methylsulfonyl-2-nitroanilino)propan-1-ol
CID 133490789
1-(2,4-dimethyl-5-nitrophenyl)-3-[1-(furan-2-yl)-2-methoxyethyl]urea
CID 75508670
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841
2-N-(4-fluoro-2-nitrophenyl)propane-1,2-diamine
CID 63733393
4-[1-(4-fluoro-2-nitroanilino)propyl]phenol
CID 43685294
4-fluoro-2-nitro-N-(1-thiophen-2-ylbutyl)aniline
CID 114449231

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline?
The IUPAC name of 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline (CID 133336556) is 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline.
What is the SMILES notation for 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline?
The canonical SMILES for 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline is COCC(Nc1ccc(F)cc1[N+](=O)[O-])c1ccco1.
What is the InChIKey of 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline?
The InChIKey is RUOLSVBSUGIZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4/c1-19-8-11(13-3-2-6-20-13)15-10-5-4-9(14)7-12(10)16(17)18/h2-7,11,15H,8H2,1H3.
What are the key properties of 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline?
4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline has a molecular weight of 280.26 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(furan-2-yl)-2-methoxyethyl]-2-nitroaniline is sourced from PubChem (CID 133336556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).