1-fluoro-4-iodo-2-(nitrosomethyl)benzene

C7H5FINO — CID 90707438

IUPAC1-fluoro-4-iodo-2-(nitrosomethyl)benzene
SMILESO=NCc1cc(I)ccc1F
InChIInChI=1S/C7H5FINO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-3H,4H2
InChIKeyNBERUUIOVRUHGQ-UHFFFAOYSA-N
MW265.02 g/mol
LogP2.70
Rot. Bonds2

About 1-fluoro-4-iodo-2-(nitrosomethyl)benzene

1-fluoro-4-iodo-2-(nitrosomethyl)benzene (PubChem CID 90707438) has the molecular formula C7H5FINO and a molecular weight of 265.02 g/mol. Its IUPAC name is 1-fluoro-4-iodo-2-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-iodo-2-(nitrosomethyl)benzene
PubChem CID90707438
Molecular FormulaC7H5FINO
Molecular Weight265.02 g/mol
Exact Mass264.94
IUPAC Name1-fluoro-4-iodo-2-(nitrosomethyl)benzene
SMILESO=NCc1cc(I)ccc1F
InChIInChI=1S/C7H5FINO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-3H,4H2
InChIKeyNBERUUIOVRUHGQ-UHFFFAOYSA-N
XLogP2.70
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.02
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-fluoro-4-iodo-2-(nitrosomethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodo-2-(nitrosomethyl)benzene?
The IUPAC name of 1-fluoro-4-iodo-2-(nitrosomethyl)benzene (CID 90707438) is 1-fluoro-4-iodo-2-(nitrosomethyl)benzene.
What is the SMILES notation for 1-fluoro-4-iodo-2-(nitrosomethyl)benzene?
The canonical SMILES for 1-fluoro-4-iodo-2-(nitrosomethyl)benzene is O=NCc1cc(I)ccc1F.
What is the InChIKey of 1-fluoro-4-iodo-2-(nitrosomethyl)benzene?
The InChIKey is NBERUUIOVRUHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FINO/c8-7-2-1-6(9)3-5(7)4-10-11/h1-3H,4H2.
What are the key properties of 1-fluoro-4-iodo-2-(nitrosomethyl)benzene?
1-fluoro-4-iodo-2-(nitrosomethyl)benzene has a molecular weight of 265.02 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-iodo-2-(nitrosomethyl)benzene is sourced from PubChem (CID 90707438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).