4-chloro-3-iodo-5-(trifluoromethoxy)aniline

C7H4ClF3INO — CID 118811208

IUPAC4-chloro-3-iodo-5-(trifluoromethoxy)aniline
SMILESNc1cc(I)c(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H4ClF3INO/c8-6-4(12)1-3(13)2-5(6)14-7(9,10)11/h1-2H,13H2
InChIKeyKRWSJKVKZWVXTE-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds1

About 4-chloro-3-iodo-5-(trifluoromethoxy)aniline

4-chloro-3-iodo-5-(trifluoromethoxy)aniline (PubChem CID 118811208) has the molecular formula C7H4ClF3INO and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-chloro-3-iodo-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name4-chloro-3-iodo-5-(trifluoromethoxy)aniline
PubChem CID118811208
Molecular FormulaC7H4ClF3INO
Molecular Weight337.47 g/mol
Exact Mass336.90
IUPAC Name4-chloro-3-iodo-5-(trifluoromethoxy)aniline
SMILESNc1cc(I)c(Cl)c(OC(F)(F)F)c1
InChIInChI=1S/C7H4ClF3INO/c8-6-4(12)1-3(13)2-5(6)14-7(9,10)11/h1-2H,13H2
InChIKeyKRWSJKVKZWVXTE-UHFFFAOYSA-N
XLogP3.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-3-iodo-5-(trifluoromethoxy)aniline 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-chloro-3-(trifluoromethoxy)-5-(trifluoromethyl)aniline
CID 171035858
5-amino-2-chloro-3-(trifluoromethoxy)phenol
CID 118850628
[5-amino-2-chloro-3-(trifluoromethoxy)phenyl]methanol
CID 131260889
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)aniline
CID 131611979
3,4-dibromo-5-(trifluoromethoxy)aniline
CID 121228147
2-chloro-5-(chloromethyl)-3-(trifluoromethoxy)aniline
CID 131324856
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
4-[4-amino-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)aniline;hydrochloride
CID 176908298
2,3,6-trichloro-4-(trifluoromethoxy)pyridine
CID 119007597
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-iodo-5-(trifluoromethoxy)aniline?
The IUPAC name of 4-chloro-3-iodo-5-(trifluoromethoxy)aniline (CID 118811208) is 4-chloro-3-iodo-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 4-chloro-3-iodo-5-(trifluoromethoxy)aniline?
The canonical SMILES for 4-chloro-3-iodo-5-(trifluoromethoxy)aniline is Nc1cc(I)c(Cl)c(OC(F)(F)F)c1.
What is the InChIKey of 4-chloro-3-iodo-5-(trifluoromethoxy)aniline?
The InChIKey is KRWSJKVKZWVXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO/c8-6-4(12)1-3(13)2-5(6)14-7(9,10)11/h1-2H,13H2.
What are the key properties of 4-chloro-3-iodo-5-(trifluoromethoxy)aniline?
4-chloro-3-iodo-5-(trifluoromethoxy)aniline has a molecular weight of 337.47 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-iodo-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 118811208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).