4-(difluoromethyl)-2-iodo-1-nitrobenzene

C7H4F2INO2 — CID 118823927

IUPAC4-(difluoromethyl)-2-iodo-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(C(F)F)cc1I
InChIInChI=1S/C7H4F2INO2/c8-7(9)4-1-2-6(11(12)13)5(10)3-4/h1-3,7H
InChIKeySITPWTYFDXLXGI-UHFFFAOYSA-N
MW299.01 g/mol
LogP3.14
Rot. Bonds2

About 4-(difluoromethyl)-2-iodo-1-nitrobenzene

4-(difluoromethyl)-2-iodo-1-nitrobenzene (PubChem CID 118823927) has the molecular formula C7H4F2INO2 and a molecular weight of 299.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-1-nitrobenzene.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-1-nitrobenzene
PubChem CID118823927
Molecular FormulaC7H4F2INO2
Molecular Weight299.01 g/mol
Exact Mass298.93
IUPAC Name4-(difluoromethyl)-2-iodo-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(C(F)F)cc1I
InChIInChI=1S/C7H4F2INO2/c8-7(9)4-1-2-6(11(12)13)5(10)3-4/h1-3,7H
InChIKeySITPWTYFDXLXGI-UHFFFAOYSA-N
XLogP3.14
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.01
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 4-(difluoromethyl)-2-iodo-1-nitrobenzene with MolForge

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

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-1-methyl-2-nitrobenzene
CID 90322221
N-[1-(4-fluorophenyl)ethyl]-3-iodo-4-nitroaniline
CID 106493194
4-(difluoromethyl)-2-nitro-1-(trifluoromethyl)benzene
CID 46311754
N-(2,2-difluoroethyl)-3-iodo-4-nitroaniline
CID 103715303
(1S)-1-(4-iodo-3-nitrophenyl)ethanamine
CID 130741027
3-iodo-4-nitro-N-(1-phenylethyl)aniline
CID 106493116
1-(difluoromethyl)-4-nitrobenzene
CID 640443
2,4,6-trifluoro-N-(3-iodo-4-nitrophenyl)aniline
CID 106494562
3-bromo-1-[4-(difluoromethyl)-2-nitrophenyl]propan-1-one
CID 134624903
3-(difluoromethyl)-4,6-diiodo-2-nitropyridine
CID 130100550
1-(3-iodo-4-nitrophenyl)-4-propan-2-ylpiperazine
CID 47279827
N-butyl-N-ethyl-3-iodo-4-nitroaniline
CID 106493796

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-1-nitrobenzene?
The IUPAC name of 4-(difluoromethyl)-2-iodo-1-nitrobenzene (CID 118823927) is 4-(difluoromethyl)-2-iodo-1-nitrobenzene.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-1-nitrobenzene?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-1-nitrobenzene is O=[N+]([O-])c1ccc(C(F)F)cc1I.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-1-nitrobenzene?
The InChIKey is SITPWTYFDXLXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2INO2/c8-7(9)4-1-2-6(11(12)13)5(10)3-4/h1-3,7H.
What are the key properties of 4-(difluoromethyl)-2-iodo-1-nitrobenzene?
4-(difluoromethyl)-2-iodo-1-nitrobenzene has a molecular weight of 299.01 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-iodo-1-nitrobenzene is sourced from PubChem (CID 118823927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).