1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol

C10H12FIN2O3 — CID 66101833

IUPAC1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FIN2O3/c1-10(2,15)5-13-8-3-6(11)7(12)4-9(8)14(16)17/h3-4,13,15H,5H2,1-2H3
InChIKeyGFHYORFAZAVFOW-UHFFFAOYSA-N
MW354.12 g/mol
LogP2.52
Rot. Bonds4

About 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol

1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol (PubChem CID 66101833) has the molecular formula C10H12FIN2O3 and a molecular weight of 354.12 g/mol. Its IUPAC name is 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
PubChem CID66101833
Molecular FormulaC10H12FIN2O3
Molecular Weight354.12 g/mol
Exact Mass353.99
IUPAC Name1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1cc(F)c(I)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12FIN2O3/c1-10(2,15)5-13-8-3-6(11)7(12)4-9(8)14(16)17/h3-4,13,15H,5H2,1-2H3
InChIKeyGFHYORFAZAVFOW-UHFFFAOYSA-N
XLogP2.52
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-ethyl-2-[(5-fluoro-4-iodo-2-nitroanilino)methyl]butan-1-ol
CID 106254727
1-(4-fluoro-5-methyl-2-nitroanilino)-2-methylpropan-2-ol
CID 103591758
N'-(5-fluoro-4-iodo-2-nitrophenyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 66101407
N'-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66086750
5-fluoro-4-iodo-N-methyl-2-nitroaniline
CID 66100620
1-N-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,2-diamine
CID 66100865
5-fluoro-N-hexyl-4-iodo-2-nitroaniline
CID 66101044
1-(5-fluoro-4-iodo-2-nitroanilino)pentan-2-ol
CID 113495879
N-ethyl-N'-(5-fluoro-4-iodo-2-nitrophenyl)propane-1,3-diamine
CID 66100467
5-fluoro-4-iodo-N-(4-methylpentyl)-2-nitroaniline
CID 66101220
N',N'-diethyl-N-(5-fluoro-4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 66101013
2-[(5-fluoro-4-iodo-2-nitroanilino)methyl]butanoic acid
CID 66087131

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol (CID 66101833) is 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1cc(F)c(I)cc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol?
The InChIKey is GFHYORFAZAVFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FIN2O3/c1-10(2,15)5-13-8-3-6(11)7(12)4-9(8)14(16)17/h3-4,13,15H,5H2,1-2H3.
What are the key properties of 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol?
1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol has a molecular weight of 354.12 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-iodo-2-nitroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 66101833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).