4-fluoro-3-iodo-2-(trifluoromethyl)aniline

C7H4F4IN — CID 130935825

IUPAC4-fluoro-3-iodo-2-(trifluoromethyl)aniline
SMILESNc1ccc(F)c(I)c1C(F)(F)F
InChIInChI=1S/C7H4F4IN/c8-3-1-2-4(13)5(6(3)12)7(9,10)11/h1-2H,13H2
InChIKeyWSABBSJWUGNAEO-UHFFFAOYSA-N
MW305.01 g/mol
LogP3.03
Rot. Bonds

About 4-fluoro-3-iodo-2-(trifluoromethyl)aniline

4-fluoro-3-iodo-2-(trifluoromethyl)aniline (PubChem CID 130935825) has the molecular formula C7H4F4IN and a molecular weight of 305.01 g/mol. Its IUPAC name is 4-fluoro-3-iodo-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-3-iodo-2-(trifluoromethyl)aniline
PubChem CID130935825
Molecular FormulaC7H4F4IN
Molecular Weight305.01 g/mol
Exact Mass304.93
IUPAC Name4-fluoro-3-iodo-2-(trifluoromethyl)aniline
SMILESNc1ccc(F)c(I)c1C(F)(F)F
InChIInChI=1S/C7H4F4IN/c8-3-1-2-4(13)5(6(3)12)7(9,10)11/h1-2H,13H2
InChIKeyWSABBSJWUGNAEO-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-iodo-2-(trifluoromethyl)aniline
CID 118828640
4-iodo-2,3-bis(trifluoromethyl)aniline
CID 119023221
3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
4-chloro-2-iodo-3-(trifluoromethyl)aniline
CID 118805865
4-fluoro-2-iodobenzene-1,3-diamine
CID 135395533
3,4-difluoro-2-iodoaniline;hydrochloride
CID 165431084
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
2-(1-amino-2-methylpropan-2-yl)-3,4-difluoroaniline
CID 117047226
4-(chloromethyl)-3-fluoro-2-(trifluoromethyl)aniline
CID 130970173
3-[5-[3-amino-6-fluoro-2-(trifluoromethyl)phenoxy]-4-fluoro-2-(trifluoromethyl)phenoxy]-4-fluoro-2-(trifluoromethyl)aniline
CID 18692094
3-[3-amino-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 18793545
3,5-difluoro-2-(trifluoromethyl)aniline
CID 2783410

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-iodo-2-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-3-iodo-2-(trifluoromethyl)aniline (CID 130935825) is 4-fluoro-3-iodo-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-3-iodo-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-3-iodo-2-(trifluoromethyl)aniline is Nc1ccc(F)c(I)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-3-iodo-2-(trifluoromethyl)aniline?
The InChIKey is WSABBSJWUGNAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4IN/c8-3-1-2-4(13)5(6(3)12)7(9,10)11/h1-2H,13H2.
What are the key properties of 4-fluoro-3-iodo-2-(trifluoromethyl)aniline?
4-fluoro-3-iodo-2-(trifluoromethyl)aniline has a molecular weight of 305.01 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-iodo-2-(trifluoromethyl)aniline is sourced from PubChem (CID 130935825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).