4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine

C9H9F4IN2S — CID 106426519

IUPAC4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCCSC(F)(F)F
InChIInChI=1S/C9H9F4IN2S/c10-5-3-8(7(15)4-6(5)14)16-1-2-17-9(11,12)13/h3-4,16H,1-2,15H2
InChIKeySNAVCDCJSLUJQA-UHFFFAOYSA-N
MW380.15 g/mol
LogP3.68
Rot. Bonds4

About 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine

4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine (PubChem CID 106426519) has the molecular formula C9H9F4IN2S and a molecular weight of 380.15 g/mol. Its IUPAC name is 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
PubChem CID106426519
Molecular FormulaC9H9F4IN2S
Molecular Weight380.15 g/mol
Exact Mass379.95
IUPAC Name4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
SMILESNc1cc(I)c(F)cc1NCCSC(F)(F)F
InChIInChI=1S/C9H9F4IN2S/c10-5-3-8(7(15)4-6(5)14)16-1-2-17-9(11,12)13/h3-4,16H,1-2,15H2
InChIKeySNAVCDCJSLUJQA-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.15
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine 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-ethoxy-5-fluoro-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 106426443
3,5-difluoro-1-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine
CID 114187357
2-N-(2-ethoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101653
2-(2-amino-5-fluoro-4-iodoanilino)ethylurea
CID 83115916
2-[2-(2-amino-5-fluoro-4-iodoanilino)ethoxy]ethanol
CID 66100509
2-N-(2-butoxyethyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66099520
4-fluoro-5-iodo-2-N-[3-[methyl(propan-2-yl)amino]propyl]benzene-1,2-diamine
CID 106036670
2-N-(2,3-dimethylbutyl)-4-fluoro-5-iodobenzene-1,2-diamine
CID 66101509
3-(2-amino-5-fluoro-4-iodoanilino)-N-butan-2-ylpropanamide
CID 66102068
4-fluoro-5-iodo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,2-diamine
CID 106394130
2-N-[(3,4-difluorophenyl)methyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 66102255
4-amino-N-methyl-3-[2-(trifluoromethylsulfanyl)ethylamino]benzamide
CID 106426373

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine (CID 106426519) is 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine is Nc1cc(I)c(F)cc1NCCSC(F)(F)F.
What is the InChIKey of 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine?
The InChIKey is SNAVCDCJSLUJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4IN2S/c10-5-3-8(7(15)4-6(5)14)16-1-2-17-9(11,12)13/h3-4,16H,1-2,15H2.
What are the key properties of 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine?
4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine has a molecular weight of 380.15 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-iodo-2-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,2-diamine is sourced from PubChem (CID 106426519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).