N-iodo-2-(trifluoromethoxy)aniline

C7H5F3INO — CID 145093219

IUPACN-iodo-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NI
InChIInChI=1S/C7H5F3INO/c8-7(9,10)13-6-4-2-1-3-5(6)12-11/h1-4,12H
InChIKeyHNKVJRUWLQGIFB-UHFFFAOYSA-N
MW303.02 g/mol
LogP3.35
Rot. Bonds2

About N-iodo-2-(trifluoromethoxy)aniline

N-iodo-2-(trifluoromethoxy)aniline (PubChem CID 145093219) has the molecular formula C7H5F3INO and a molecular weight of 303.02 g/mol. Its IUPAC name is N-iodo-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-iodo-2-(trifluoromethoxy)aniline
PubChem CID145093219
Molecular FormulaC7H5F3INO
Molecular Weight303.02 g/mol
Exact Mass302.94
IUPAC NameN-iodo-2-(trifluoromethoxy)aniline
SMILESFC(F)(F)Oc1ccccc1NI
InChIInChI=1S/C7H5F3INO/c8-7(9,10)13-6-4-2-1-3-5(6)12-11/h1-4,12H
InChIKeyHNKVJRUWLQGIFB-UHFFFAOYSA-N
XLogP3.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.02
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
1-(trifluoromethoxy)-2-[2-[2-(trifluoromethoxy)anilino]hydrazinyl]benzene;hydrochloride
CID 87629751
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 22675955
N-[2-(trifluoromethoxy)phenyl]nitramide
CID 70612792
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 31071215
2-[[2-(trifluoromethoxy)anilino]methylidene]propanedinitrile
CID 27296814
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127

Frequently Asked Questions

What is the IUPAC name of N-iodo-2-(trifluoromethoxy)aniline?
The IUPAC name of N-iodo-2-(trifluoromethoxy)aniline (CID 145093219) is N-iodo-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-iodo-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-iodo-2-(trifluoromethoxy)aniline is FC(F)(F)Oc1ccccc1NI.
What is the InChIKey of N-iodo-2-(trifluoromethoxy)aniline?
The InChIKey is HNKVJRUWLQGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3INO/c8-7(9,10)13-6-4-2-1-3-5(6)12-11/h1-4,12H.
What are the key properties of N-iodo-2-(trifluoromethoxy)aniline?
N-iodo-2-(trifluoromethoxy)aniline has a molecular weight of 303.02 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 145093219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).