N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

C20H10F6INO — CID 137416728

IUPACN-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESFC(F)(F)c1ccc(N(I)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C20H10F6INO/c21-19(22,23)11-7-9-12(10-8-11)28(27)16-6-2-4-14-13-3-1-5-15(20(24,25)26)17(13)29-18(14)16/h1-10H
InChIKeyUYNSTUPVXXRKPU-UHFFFAOYSA-N
MW521.20 g/mol
LogP8.11
Rot. Bonds2

About N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine

N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (PubChem CID 137416728) has the molecular formula C20H10F6INO and a molecular weight of 521.20 g/mol. Its IUPAC name is N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
PubChem CID137416728
Molecular FormulaC20H10F6INO
Molecular Weight521.20 g/mol
Exact Mass520.97
IUPAC NameN-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
SMILESFC(F)(F)c1ccc(N(I)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C20H10F6INO/c21-19(22,23)11-7-9-12(10-8-11)28(27)16-6-2-4-14-13-3-1-5-15(20(24,25)26)17(13)29-18(14)16/h1-10H
InChIKeyUYNSTUPVXXRKPU-UHFFFAOYSA-N
XLogP8.11
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.20
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine 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

N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
6-tert-butyl-N-methyl-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651769
6-(N-iodo-4-methylanilino)dibenzofuran-4-carbonitrile
CID 137416012
6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
N-(2-ethylphenyl)-N-methyl-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527991
6-[N-methyl-2-(trifluoromethyl)anilino]dibenzofuran-4-carbonitrile
CID 134527975
6-(2-tert-butyl-N-iodoanilino)dibenzofuran-4-carbonitrile
CID 137416092
6-cyclohexyl-N-iodo-N-(4-methylphenyl)dibenzofuran-4-amine
CID 166813401
N-(2-tert-butylphenyl)-6-ethyl-N-iododibenzofuran-4-amine
CID 137416089
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461
9,9-dimethyl-2-N',7-N'-bis(6-methyldibenzofuran-4-yl)-2-N',7-N'-bis[4-(trifluoromethyl)phenyl]spiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163743757

Frequently Asked Questions

What is the IUPAC name of N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine (CID 137416728) is N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is FC(F)(F)c1ccc(N(I)c2cccc3c2oc2c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
The InChIKey is UYNSTUPVXXRKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F6INO/c21-19(22,23)11-7-9-12(10-8-11)28(27)16-6-2-4-14-13-3-1-5-15(20(24,25)26)17(13)29-18(14)16/h1-10H.
What are the key properties of N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine?
N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine has a molecular weight of 521.20 g/mol, XLogP of 8.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 137416728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).