5-fluoro-2-iodo-3-(trifluoromethoxy)aniline

C7H4F4INO — CID 130882933

IUPAC5-fluoro-2-iodo-3-(trifluoromethoxy)aniline
SMILESNc1cc(F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C7H4F4INO/c8-3-1-4(13)6(12)5(2-3)14-7(9,10)11/h1-2H,13H2
InChIKeyNZNWJZUCJAMKQN-UHFFFAOYSA-N
MW321.01 g/mol
LogP2.91
Rot. Bonds1

About 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline

5-fluoro-2-iodo-3-(trifluoromethoxy)aniline (PubChem CID 130882933) has the molecular formula C7H4F4INO and a molecular weight of 321.01 g/mol. Its IUPAC name is 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-iodo-3-(trifluoromethoxy)aniline
PubChem CID130882933
Molecular FormulaC7H4F4INO
Molecular Weight321.01 g/mol
Exact Mass320.93
IUPAC Name5-fluoro-2-iodo-3-(trifluoromethoxy)aniline
SMILESNc1cc(F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C7H4F4INO/c8-3-1-4(13)6(12)5(2-3)14-7(9,10)11/h1-2H,13H2
InChIKeyNZNWJZUCJAMKQN-UHFFFAOYSA-N
XLogP2.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.01
LogP ≤ 52.91
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

2-(bromomethyl)-5-fluoro-3-(trifluoromethoxy)aniline
CID 119011828
3-chloro-5-fluoro-2-(trifluoromethoxy)aniline
CID 130792876
5-chloro-4-iodo-2-(trifluoromethoxy)aniline
CID 130895645
1-bromo-2-iodo-3-(trifluoromethoxy)-5-(trifluoromethyl)benzene
CID 171008016
1,5-dibromo-2-iodo-3-(trifluoromethoxy)benzene
CID 26599128
[3-amino-5-fluoro-2-(trifluoromethoxy)phenyl]methanol
CID 131261840
2-(aminomethyl)-5-chloro-4-(trifluoromethoxy)aniline
CID 118995380
[2-amino-4-fluoro-5-(trifluoromethoxy)phenyl]methanol
CID 118996091
2-bromo-4-fluoro-5-(trifluoromethoxy)aniline
CID 98041876
2-fluoro-5-methyl-4-(trifluoromethoxy)aniline
CID 130926046
4-bromo-5-(trifluoromethoxy)benzene-1,2-diamine
CID 26985379
1-fluoro-2,5-diiodo-4-(trifluoromethoxy)benzene
CID 118841669

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline?
The IUPAC name of 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline (CID 130882933) is 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline.
What is the SMILES notation for 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline?
The canonical SMILES for 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline is Nc1cc(F)cc(OC(F)(F)F)c1I.
What is the InChIKey of 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline?
The InChIKey is NZNWJZUCJAMKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4INO/c8-3-1-4(13)6(12)5(2-3)14-7(9,10)11/h1-2H,13H2.
What are the key properties of 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline?
5-fluoro-2-iodo-3-(trifluoromethoxy)aniline has a molecular weight of 321.01 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-iodo-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 130882933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).