5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline

C9H10FIN2O2 — CID 66100227

IUPAC5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FIN2O2/c1-5(2)12-8-3-6(10)7(11)4-9(8)13(14)15/h3-5,12H,1-2H3
InChIKeyHOJNTRKXUAAQNW-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.16
Rot. Bonds3

About 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline

5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline (PubChem CID 66100227) has the molecular formula C9H10FIN2O2 and a molecular weight of 324.09 g/mol. Its IUPAC name is 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline.

Molecular Properties

Compound Name5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
PubChem CID66100227
Molecular FormulaC9H10FIN2O2
Molecular Weight324.09 g/mol
Exact Mass323.98
IUPAC Name5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline
SMILESCC(C)Nc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10FIN2O2/c1-5(2)12-8-3-6(10)7(11)4-9(8)13(14)15/h3-5,12H,1-2H3
InChIKeyHOJNTRKXUAAQNW-UHFFFAOYSA-N
XLogP3.16
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.16
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

5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
5-fluoro-4-iodo-N-[1-(5-methylfuran-2-yl)ethyl]-2-nitroaniline
CID 66101615
1-N-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,2-diamine
CID 66100865
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 66099657
2-N-(5-fluoro-4-iodo-2-nitrophenyl)-2,3-dimethylbutane-1,2-diamine
CID 115310782
5-fluoro-4-iodo-2-nitro-N-(1-pyridin-2-ylethyl)aniline
CID 66102193
5-fluoro-4-iodo-N-(4-methylpentyl)-2-nitroaniline
CID 66101220
5-fluoro-4-iodo-2-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 66101998
5-fluoro-4-iodo-N-(5-methylhexyl)-2-nitroaniline
CID 115326179
5-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-iodo-2-nitroaniline
CID 66100831
1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
CID 66101833
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline?
The IUPAC name of 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline (CID 66100227) is 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline.
What is the SMILES notation for 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline?
The canonical SMILES for 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline is CC(C)Nc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline?
The InChIKey is HOJNTRKXUAAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FIN2O2/c1-5(2)12-8-3-6(10)7(11)4-9(8)13(14)15/h3-5,12H,1-2H3.
What are the key properties of 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline?
5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline has a molecular weight of 324.09 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-2-nitro-N-propan-2-ylaniline is sourced from PubChem (CID 66100227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).