4-fluoro-N-(2-fluorophenyl)-2-iodoaniline

C12H8F2IN — CID 152736255

IUPAC4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
SMILESFc1ccc(Nc2ccccc2F)c(I)c1
InChIInChI=1S/C12H8F2IN/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,16H
InChIKeyZYRBJVPWPHKSMK-UHFFFAOYSA-N
MW331.10 g/mol
LogP4.31
Rot. Bonds2

About 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline

4-fluoro-N-(2-fluorophenyl)-2-iodoaniline (PubChem CID 152736255) has the molecular formula C12H8F2IN and a molecular weight of 331.10 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline.

Molecular Properties

Compound Name4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
PubChem CID152736255
Molecular FormulaC12H8F2IN
Molecular Weight331.10 g/mol
Exact Mass330.97
IUPAC Name4-fluoro-N-(2-fluorophenyl)-2-iodoaniline
SMILESFc1ccc(Nc2ccccc2F)c(I)c1
InChIInChI=1S/C12H8F2IN/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,16H
InChIKeyZYRBJVPWPHKSMK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.10
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-fluoroanilino)benzoic acid
CID 82296808
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
2-(2-aminoethyl)-4-fluoro-N-(2-fluorophenyl)aniline
CID 82296258
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
3-fluoro-2-(4-fluoro-2-iodoanilino)benzoic acid
CID 79766985
4-chloro-5-fluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 79768709
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
2-amino-3-(4-fluoro-2-iodoanilino)benzenesulfonamide
CID 115992857
2-(2,5-difluoroanilino)phenol
CID 82537391
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline?
The IUPAC name of 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline (CID 152736255) is 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline.
What is the SMILES notation for 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline?
The canonical SMILES for 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline is Fc1ccc(Nc2ccccc2F)c(I)c1.
What is the InChIKey of 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline?
The InChIKey is ZYRBJVPWPHKSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2IN/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7,16H.
What are the key properties of 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline?
4-fluoro-N-(2-fluorophenyl)-2-iodoaniline has a molecular weight of 331.10 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-fluorophenyl)-2-iodoaniline is sourced from PubChem (CID 152736255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).