4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine

C13H12FIN2 — CID 66101051

IUPAC4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(F)c(I)cc2N)cc1
InChIInChI=1S/C13H12FIN2/c1-8-2-4-9(5-3-8)17-13-6-10(14)11(15)7-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGMGCGRPGRAUSJM-UHFFFAOYSA-N
MW342.16 g/mol
LogP4.06
Rot. Bonds2

About 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine

4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine (PubChem CID 66101051) has the molecular formula C13H12FIN2 and a molecular weight of 342.16 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
PubChem CID66101051
Molecular FormulaC13H12FIN2
Molecular Weight342.16 g/mol
Exact Mass342.00
IUPAC Name4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2cc(F)c(I)cc2N)cc1
InChIInChI=1S/C13H12FIN2/c1-8-2-4-9(5-3-8)17-13-6-10(14)11(15)7-12(13)16/h2-7,17H,16H2,1H3
InChIKeyGMGCGRPGRAUSJM-UHFFFAOYSA-N
XLogP4.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.16
LogP ≤ 54.06
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

4-fluoro-5-iodo-2-N-phenylbenzene-1,2-diamine
CID 66101823
2-N-(4-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66100055
2-N-(3-chloro-4-fluorophenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102226
4-fluoro-5-iodo-2-N-(3,4,5-trifluorophenyl)benzene-1,2-diamine
CID 66102468
4-fluoro-5-iodo-2-N-naphthalen-2-ylbenzene-1,2-diamine
CID 66100498
4-fluoro-5-iodo-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 66100059
2-N-(1,3-benzothiazol-6-yl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 107802835
2-N-(3-ethoxyphenyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101863
2-N-(4-fluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281220
4-chloro-5-fluoro-2-N-(3-iodo-4-methylphenyl)benzene-1,2-diamine
CID 114257054
3-amino-4-(4-methylanilino)phenol
CID 91593642
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine (CID 66101051) is 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine is Cc1ccc(Nc2cc(F)c(I)cc2N)cc1.
What is the InChIKey of 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
The InChIKey is GMGCGRPGRAUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FIN2/c1-8-2-4-9(5-3-8)17-13-6-10(14)11(15)7-12(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine has a molecular weight of 342.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 66101051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).