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

C12H8F2IN — CID 174579692

IUPAC2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
SMILESFc1ccc(Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C12H8F2IN/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H
InChIKeyXLEDBCBUJGBMAV-UHFFFAOYSA-N
MW331.10 g/mol
LogP4.31
Rot. Bonds2

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

2-fluoro-N-(4-fluorophenyl)-4-iodoaniline (PubChem CID 174579692) has the molecular formula C12H8F2IN and a molecular weight of 331.10 g/mol. Its IUPAC name is 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline.

Molecular Properties

Compound Name2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
PubChem CID174579692
Molecular FormulaC12H8F2IN
Molecular Weight331.10 g/mol
Exact Mass330.97
IUPAC Name2-fluoro-N-(4-fluorophenyl)-4-iodoaniline
SMILESFc1ccc(Nc2ccc(I)cc2F)cc1
InChIInChI=1S/C12H8F2IN/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H
InChIKeyXLEDBCBUJGBMAV-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

2-fluoro-1-N-(4-iodophenyl)benzene-1,4-diamine
CID 29067094
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
3,4-difluoro-2-N-(2-fluoro-4-iodophenyl)benzene-1,2-diamine
CID 59386306
1-[4-(2,4-difluoroanilino)phenyl]ethanone
CID 82536666
4-chloro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 43148758
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
3-(2-fluoro-4-iodoanilino)-N'-(4-methylphenyl)pyridine-4-carbohydrazide
CID 11532734
1-N-(2,4-difluorophenyl)-2-iodobenzene-1,4-diamine
CID 66094766
2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline?
The IUPAC name of 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline (CID 174579692) is 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline.
What is the SMILES notation for 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline?
The canonical SMILES for 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline is Fc1ccc(Nc2ccc(I)cc2F)cc1.
What is the InChIKey of 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline?
The InChIKey is XLEDBCBUJGBMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2IN/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7,16H.
What are the key properties of 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline?
2-fluoro-N-(4-fluorophenyl)-4-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 2-fluoro-N-(4-fluorophenyl)-4-iodoaniline is sourced from PubChem (CID 174579692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).