5-chloro-4-iodo-2-(trifluoromethoxy)aniline

C7H4ClF3INO — CID 130895645

IUPAC5-chloro-4-iodo-2-(trifluoromethoxy)aniline
SMILESNc1cc(Cl)c(I)cc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H,13H2
InChIKeyHJCXMVKXFUJXGC-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.43
Rot. Bonds1

About 5-chloro-4-iodo-2-(trifluoromethoxy)aniline

5-chloro-4-iodo-2-(trifluoromethoxy)aniline (PubChem CID 130895645) has the molecular formula C7H4ClF3INO and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-chloro-4-iodo-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-chloro-4-iodo-2-(trifluoromethoxy)aniline
PubChem CID130895645
Molecular FormulaC7H4ClF3INO
Molecular Weight337.47 g/mol
Exact Mass336.90
IUPAC Name5-chloro-4-iodo-2-(trifluoromethoxy)aniline
SMILESNc1cc(Cl)c(I)cc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H,13H2
InChIKeyHJCXMVKXFUJXGC-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'}

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Related Compounds

5-bromo-4-chloro-2-(trifluoromethoxy)aniline
CID 121227608
1-chloro-4-fluoro-2-iodo-5-(trifluoromethoxy)benzene
CID 171002272
5-chloro-2-(trifluoromethoxy)-4-(trifluoromethylsulfanyl)aniline
CID 171036740
1-chloro-5-fluoro-4-iodo-2-(trifluoromethoxy)benzene
CID 171002131
4-chloro-3-iodo-5-(trifluoromethoxy)aniline
CID 118811208
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
2-amino-4-chloro-5-(trifluoromethoxy)benzamide
CID 119015619
5-bromo-2-(trifluoromethoxy)-4-(trifluoromethyl)aniline
CID 134629385
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
1-[5-chloro-2-iodo-4-(trifluoromethoxy)phenyl]ethanone
CID 171009086
2-chloro-4-(chloromethyl)-5-(trifluoromethoxy)aniline
CID 131323958
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-2-(trifluoromethoxy)aniline?
The IUPAC name of 5-chloro-4-iodo-2-(trifluoromethoxy)aniline (CID 130895645) is 5-chloro-4-iodo-2-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-chloro-4-iodo-2-(trifluoromethoxy)aniline?
The canonical SMILES for 5-chloro-4-iodo-2-(trifluoromethoxy)aniline is Nc1cc(Cl)c(I)cc1OC(F)(F)F.
What is the InChIKey of 5-chloro-4-iodo-2-(trifluoromethoxy)aniline?
The InChIKey is HJCXMVKXFUJXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO/c8-3-1-5(13)6(2-4(3)12)14-7(9,10)11/h1-2H,13H2.
What are the key properties of 5-chloro-4-iodo-2-(trifluoromethoxy)aniline?
5-chloro-4-iodo-2-(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 5-chloro-4-iodo-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 130895645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).