4-(2-iodophenoxy)-3-(trifluoromethyl)aniline

C13H9F3INO — CID 55191480

IUPAC4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccccc2I)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F3INO/c14-13(15,16)9-7-8(18)5-6-11(9)19-12-4-2-1-3-10(12)17/h1-7H,18H2
InChIKeyNKNQCARJZIWKNL-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.68
Rot. Bonds2

About 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline

4-(2-iodophenoxy)-3-(trifluoromethyl)aniline (PubChem CID 55191480) has the molecular formula C13H9F3INO and a molecular weight of 379.12 g/mol. Its IUPAC name is 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
PubChem CID55191480
Molecular FormulaC13H9F3INO
Molecular Weight379.12 g/mol
Exact Mass378.97
IUPAC Name4-(2-iodophenoxy)-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccccc2I)c(C(F)(F)F)c1
InChIInChI=1S/C13H9F3INO/c14-13(15,16)9-7-8(18)5-6-11(9)19-12-4-2-1-3-10(12)17/h1-7H,18H2
InChIKeyNKNQCARJZIWKNL-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.68
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

4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline;hydrochloride
CID 22906581
4-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]-N-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]anilino]phenoxy]-3-(trifluoromethyl)aniline
CID 90293468
4-[2-[2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-(trifluoromethyl)aniline
CID 18793542
2-[2-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107711923
3-methyl-4-[2-(trifluoromethyl)phenoxy]aniline
CID 18616432
4-[2-[4-amino-2-(trifluoromethyl)phenoxy]-4-tert-butylphenoxy]-3-(trifluoromethyl)aniline
CID 102252770
3-(difluoromethyl)-4-[2-(trifluoromethyl)phenoxy]aniline
CID 63735664
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline;4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]-3-(trifluoromethyl)aniline
CID 19805070
4-(5-iodopyrimidin-4-yl)oxy-3-(trifluoromethyl)aniline
CID 66342844
5-amino-2-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 60986559
4-[10-[4-amino-2-(trifluoromethyl)phenoxy]anthracen-9-yl]-3-(trifluoromethyl)aniline
CID 176916153
4-[4-[4-[4-amino-2-(trifluoromethyl)phenoxy]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenoxy]-3-(trifluoromethyl)aniline
CID 54530043

Frequently Asked Questions

What is the IUPAC name of 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline?
The IUPAC name of 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline (CID 55191480) is 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccccc2I)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline?
The InChIKey is NKNQCARJZIWKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO/c14-13(15,16)9-7-8(18)5-6-11(9)19-12-4-2-1-3-10(12)17/h1-7H,18H2.
What are the key properties of 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline?
4-(2-iodophenoxy)-3-(trifluoromethyl)aniline has a molecular weight of 379.12 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-iodophenoxy)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 55191480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).