4-chloro-2-iodo-3-(trifluoromethyl)aniline

C7H4ClF3IN — CID 118805865

IUPAC4-chloro-2-iodo-3-(trifluoromethyl)aniline
SMILESNc1ccc(Cl)c(C(F)(F)F)c1I
InChIInChI=1S/C7H4ClF3IN/c8-3-1-2-4(13)6(12)5(3)7(9,10)11/h1-2H,13H2
InChIKeyHANOGFGOWAAXEZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.55
Rot. Bonds

About 4-chloro-2-iodo-3-(trifluoromethyl)aniline

4-chloro-2-iodo-3-(trifluoromethyl)aniline (PubChem CID 118805865) has the molecular formula C7H4ClF3IN and a molecular weight of 321.47 g/mol. Its IUPAC name is 4-chloro-2-iodo-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-iodo-3-(trifluoromethyl)aniline
PubChem CID118805865
Molecular FormulaC7H4ClF3IN
Molecular Weight321.47 g/mol
Exact Mass320.90
IUPAC Name4-chloro-2-iodo-3-(trifluoromethyl)aniline
SMILESNc1ccc(Cl)c(C(F)(F)F)c1I
InChIInChI=1S/C7H4ClF3IN/c8-3-1-2-4(13)6(12)5(3)7(9,10)11/h1-2H,13H2
InChIKeyHANOGFGOWAAXEZ-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-2-(trifluoromethyl)phenol
CID 68682278
1-chloro-4-(chloromethyl)-3-iodo-2-(trifluoromethyl)benzene
CID 70578657
4-fluoro-3-iodo-2-(trifluoromethyl)aniline
CID 130935825
4-iodo-2,3-bis(trifluoromethyl)aniline
CID 119023221
4-bromo-3-iodo-2-(trifluoromethyl)aniline
CID 118828640
2-amino-4-chloro-3-(trifluoromethyl)phenol
CID 58148280
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
4-amino-3-chloro-2-(trifluoromethyl)phenol
CID 119003890
2-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 119003965
2-chloro-4-(chloromethyl)-3-(trifluoromethyl)aniline
CID 130971493
[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
CID 57355635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-iodo-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-2-iodo-3-(trifluoromethyl)aniline (CID 118805865) is 4-chloro-2-iodo-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-2-iodo-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-2-iodo-3-(trifluoromethyl)aniline is Nc1ccc(Cl)c(C(F)(F)F)c1I.
What is the InChIKey of 4-chloro-2-iodo-3-(trifluoromethyl)aniline?
The InChIKey is HANOGFGOWAAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3IN/c8-3-1-2-4(13)6(12)5(3)7(9,10)11/h1-2H,13H2.
What are the key properties of 4-chloro-2-iodo-3-(trifluoromethyl)aniline?
4-chloro-2-iodo-3-(trifluoromethyl)aniline has a molecular weight of 321.47 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-iodo-3-(trifluoromethyl)aniline is sourced from PubChem (CID 118805865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).