N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine

C19H11F3INO2 — CID 137415998

IUPACN-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
SMILESFC(F)(F)Oc1ccccc1N(I)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H11F3INO2/c20-19(21,22)26-17-11-4-2-8-14(17)24(23)15-9-5-7-13-12-6-1-3-10-16(12)25-18(13)15/h1-11H
InChIKeyIQMKCNFCBHZRED-UHFFFAOYSA-N
MW469.20 g/mol
LogP6.97
Rot. Bonds3

About N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine

N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine (PubChem CID 137415998) has the molecular formula C19H11F3INO2 and a molecular weight of 469.20 g/mol. Its IUPAC name is N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
PubChem CID137415998
Molecular FormulaC19H11F3INO2
Molecular Weight469.20 g/mol
Exact Mass468.98
IUPAC NameN-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
SMILESFC(F)(F)Oc1ccccc1N(I)c1cccc2c1oc1ccccc12
InChIInChI=1S/C19H11F3INO2/c20-19(21,22)26-17-11-4-2-8-14(17)24(23)15-9-5-7-13-12-6-1-3-10-16(12)25-18(13)15/h1-11H
InChIKeyIQMKCNFCBHZRED-UHFFFAOYSA-N
XLogP6.97
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.20
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 137416686
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461
6-fluoro-N-methyl-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine
CID 134527961
N-methyl-N-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)dibenzofuran-4-amine
CID 134527993
N-(4-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 138456773
N-(2-fluorophenyl)-N-methyldibenzofuran-4-amine
CID 134527943
N,N-diphenyldibenzofuran-4-amine;ethane
CID 158587957
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
N,N-di(dibenzofuran-4-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 168804104
N-tert-butyl-N-(4-tert-butylphenyl)dibenzofuran-4-amine
CID 162698599
N-dibenzofuran-4-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]dibenzofuran-4-amine
CID 71126744
2-N,2-N,7-N,7-N-tetra(dibenzofuran-4-yl)pyrene-2,7-diamine
CID 123258916

Frequently Asked Questions

What is the IUPAC name of N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine (CID 137415998) is N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine is FC(F)(F)Oc1ccccc1N(I)c1cccc2c1oc1ccccc12.
What is the InChIKey of N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
The InChIKey is IQMKCNFCBHZRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3INO2/c20-19(21,22)26-17-11-4-2-8-14(17)24(23)15-9-5-7-13-12-6-1-3-10-16(12)25-18(13)15/h1-11H.
What are the key properties of N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine?
N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine has a molecular weight of 469.20 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-[2-(trifluoromethoxy)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 137415998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).