2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline

C12H2F8IN — CID 130427136

IUPAC2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
SMILESNc1c(F)c(F)c(-c2c(F)c(F)c(I)c(F)c2F)c(F)c1F
InChIInChI=1S/C12H2F8IN/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h22H2
InChIKeyLXEPZBGVRYHJCQ-UHFFFAOYSA-N
MW439.04 g/mol
LogP4.65
Rot. Bonds1

About 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline

2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline (PubChem CID 130427136) has the molecular formula C12H2F8IN and a molecular weight of 439.04 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
PubChem CID130427136
Molecular FormulaC12H2F8IN
Molecular Weight439.04 g/mol
Exact Mass438.91
IUPAC Name2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline
SMILESNc1c(F)c(F)c(-c2c(F)c(F)c(I)c(F)c2F)c(F)c1F
InChIInChI=1S/C12H2F8IN/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h22H2
InChIKeyLXEPZBGVRYHJCQ-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.04
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

azane;2,3,4,5,6-pentafluoroaniline
CID 172821602
4-(4-amino-2,3,6-trifluoro-5-methylphenyl)-3,5-difluoro-2,6-dimethylaniline
CID 118066890
4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3-difluoro-5,6-bis(trichloromethyl)aniline
CID 141003786
3,4,6-trifluoro-5-(2,3,6-trifluorophenyl)benzene-1,2-diamine
CID 141297507
1,2-difluoro-3,4,6-triiodo-5-(2,3,5,6-tetrafluoro-4-methylphenyl)benzene
CID 146603757
2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
bis(2,3,5,6-tetrafluoro-4-iodophenyl)diazene
CID 102102069
2,3,4,6-tetrafluoro-5-iodophenolate
CID 155760380
3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
CID 71391291

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline (CID 130427136) is 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline is Nc1c(F)c(F)c(-c2c(F)c(F)c(I)c(F)c2F)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline?
The InChIKey is LXEPZBGVRYHJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H2F8IN/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h22H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline?
2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline has a molecular weight of 439.04 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-iodophenyl)aniline is sourced from PubChem (CID 130427136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).