3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine

C12H8F3IN2 — CID 113325343

IUPAC3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H8F3IN2/c13-6-1-2-10(9(16)4-6)18-11-5-7(14)3-8(15)12(11)17/h1-5,18H,17H2
InChIKeyZASKIWXBKGENHH-UHFFFAOYSA-N
MW364.11 g/mol
LogP4.03
Rot. Bonds2

About 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine

3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine (PubChem CID 113325343) has the molecular formula C12H8F3IN2 and a molecular weight of 364.11 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
PubChem CID113325343
Molecular FormulaC12H8F3IN2
Molecular Weight364.11 g/mol
Exact Mass363.97
IUPAC Name3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1Nc1ccc(F)cc1I
InChIInChI=1S/C12H8F3IN2/c13-6-1-2-10(9(16)4-6)18-11-5-7(14)3-8(15)12(11)17/h1-5,18H,17H2
InChIKeyZASKIWXBKGENHH-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.11
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
CID 152736255
4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 79768709
1-N-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-N-(4-fluoro-2-iodophenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83008637
1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506549
3,5-difluoro-1-N-(3-iodophenyl)benzene-1,2-diamine
CID 115506539
6-N-(4-fluoro-2-iodophenyl)quinoline-5,6-diamine
CID 79769203
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
1-N-(4-tert-butylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506512

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine (CID 113325343) is 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine is Nc1c(F)cc(F)cc1Nc1ccc(F)cc1I.
What is the InChIKey of 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
The InChIKey is ZASKIWXBKGENHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3IN2/c13-6-1-2-10(9(16)4-6)18-11-5-7(14)3-8(15)12(11)17/h1-5,18H,17H2.
What are the key properties of 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine has a molecular weight of 364.11 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine is sourced from PubChem (CID 113325343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).