N-(2-fluoroethyl)-2-iodo-4-nitroaniline

C8H8FIN2O2 — CID 130504221

IUPACN-(2-fluoroethyl)-2-iodo-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCF)c(I)c1
InChIInChI=1S/C8H8FIN2O2/c9-3-4-11-8-2-1-6(12(13)14)5-7(8)10/h1-2,5,11H,3-4H2
InChIKeyUTEYWYOLJQBYGX-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.58
Rot. Bonds4

About N-(2-fluoroethyl)-2-iodo-4-nitroaniline

N-(2-fluoroethyl)-2-iodo-4-nitroaniline (PubChem CID 130504221) has the molecular formula C8H8FIN2O2 and a molecular weight of 310.07 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-iodo-4-nitroaniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-iodo-4-nitroaniline
PubChem CID130504221
Molecular FormulaC8H8FIN2O2
Molecular Weight310.07 g/mol
Exact Mass309.96
IUPAC NameN-(2-fluoroethyl)-2-iodo-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCCF)c(I)c1
InChIInChI=1S/C8H8FIN2O2/c9-3-4-11-8-2-1-6(12(13)14)5-7(8)10/h1-2,5,11H,3-4H2
InChIKeyUTEYWYOLJQBYGX-UHFFFAOYSA-N
XLogP2.58
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

N'-(2-iodo-4-nitrophenyl)ethane-1,2-diamine
CID 66093261
2-iodo-4-nitro-N-octylaniline
CID 115568882
N'-(2-iodo-4-nitrophenyl)-N-propylethane-1,2-diamine
CID 66093913
N-(2-iodo-4-nitrophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 66094909
N-[2-(4-aminophenyl)ethyl]-2-iodo-4-nitroaniline
CID 66094531
2-iodo-4-nitro-N-(2-pyridin-4-ylethyl)aniline
CID 66095940
2-iodo-4-nitro-N-prop-2-ynylaniline
CID 66093900
1,1,1-trifluoro-3-(2-iodo-4-nitroanilino)propan-2-ol
CID 114093681
2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitroaniline
CID 114468800
2-iodo-4-nitro-N-(2-thiomorpholin-4-ylethyl)aniline
CID 106326044
2-iodo-4-nitro-N-(2-pyrrolidin-3-ylethyl)aniline
CID 66095966
2-iodo-4-nitro-N-(1,2-oxazol-5-ylmethyl)aniline
CID 106419092

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-iodo-4-nitroaniline?
The IUPAC name of N-(2-fluoroethyl)-2-iodo-4-nitroaniline (CID 130504221) is N-(2-fluoroethyl)-2-iodo-4-nitroaniline.
What is the SMILES notation for N-(2-fluoroethyl)-2-iodo-4-nitroaniline?
The canonical SMILES for N-(2-fluoroethyl)-2-iodo-4-nitroaniline is O=[N+]([O-])c1ccc(NCCF)c(I)c1.
What is the InChIKey of N-(2-fluoroethyl)-2-iodo-4-nitroaniline?
The InChIKey is UTEYWYOLJQBYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O2/c9-3-4-11-8-2-1-6(12(13)14)5-7(8)10/h1-2,5,11H,3-4H2.
What are the key properties of N-(2-fluoroethyl)-2-iodo-4-nitroaniline?
N-(2-fluoroethyl)-2-iodo-4-nitroaniline has a molecular weight of 310.07 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-iodo-4-nitroaniline is sourced from PubChem (CID 130504221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).