5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline

C8H8FIN2O2 — CID 130557612

IUPAC5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
SMILESCN(C)c1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8FIN2O2/c1-11(2)7-3-5(9)6(10)4-8(7)12(13)14/h3-4H,1-2H3
InChIKeyPEEVUMMONAEXRX-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.40
Rot. Bonds2

About 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline

5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline (PubChem CID 130557612) has the molecular formula C8H8FIN2O2 and a molecular weight of 310.07 g/mol. Its IUPAC name is 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline.

Molecular Properties

Compound Name5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
PubChem CID130557612
Molecular FormulaC8H8FIN2O2
Molecular Weight310.07 g/mol
Exact Mass309.96
IUPAC Name5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
SMILESCN(C)c1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8FIN2O2/c1-11(2)7-3-5(9)6(10)4-8(7)12(13)14/h3-4H,1-2H3
InChIKeyPEEVUMMONAEXRX-UHFFFAOYSA-N
XLogP2.40
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.40
H-Bond Donors ≤ 50
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

2-(5-fluoro-4-iodo-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 66086178
2-(5-fluoro-4-iodo-N-methyl-2-nitroanilino)propanoic acid
CID 66088676
3-(5-fluoro-4-iodo-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 66088490
N-(5-fluoro-4-iodo-2-nitrophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66101057
1-cyclopropyl-N-(5-fluoro-4-iodo-2-nitrophenyl)-N-methylethane-1,2-diamine
CID 116653213
5-fluoro-4-iodo-N-methyl-2-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79719375
methyl 4-(5-fluoro-4-iodo-N-methyl-2-nitroanilino)butanoate
CID 66101088
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
2-[5-fluoro-4-iodo-N-(2-methoxyethyl)-2-nitroanilino]acetic acid
CID 66088489
ethyl 2-(5-fluoro-4-iodo-2-nitro-N-propan-2-ylanilino)acetate
CID 66100693
O-(5-fluoro-4-iodo-2-nitrophenyl)hydroxylamine
CID 79427039
5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
CID 66100227

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline?
The IUPAC name of 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline (CID 130557612) is 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline.
What is the SMILES notation for 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline?
The canonical SMILES for 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline is CN(C)c1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline?
The InChIKey is PEEVUMMONAEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FIN2O2/c1-11(2)7-3-5(9)6(10)4-8(7)12(13)14/h3-4H,1-2H3.
What are the key properties of 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline?
5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline has a molecular weight of 310.07 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline is sourced from PubChem (CID 130557612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).