4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline

C28H16F8N2O2 — CID 175746950

IUPAC4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline
SMILESC=Cc1c(F)c(F)c(Oc2c(N)ccc(-c3ccc(N)cc3)c2Oc2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F
InChIInChI=1S/C28H16F8N2O2/c1-3-13-17(29)21(33)27(22(34)18(13)30)39-25-15(11-5-7-12(37)8-6-11)9-10-16(38)26(25)40-28-23(35)19(31)14(4-2)20(32)24(28)36/h3-10H,1-2,37-38H2
InChIKeyFZCFDDYPLUKASG-UHFFFAOYSA-N
MW564.43 g/mol
LogP8.50
Rot. Bonds7

About 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline

4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline (PubChem CID 175746950) has the molecular formula C28H16F8N2O2 and a molecular weight of 564.43 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline
PubChem CID175746950
Molecular FormulaC28H16F8N2O2
Molecular Weight564.43 g/mol
Exact Mass564.11
IUPAC Name4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline
SMILESC=Cc1c(F)c(F)c(Oc2c(N)ccc(-c3ccc(N)cc3)c2Oc2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F
InChIInChI=1S/C28H16F8N2O2/c1-3-13-17(29)21(33)27(22(34)18(13)30)39-25-15(11-5-7-12(37)8-6-11)9-10-16(38)26(25)40-28-23(35)19(31)14(4-2)20(32)24(28)36/h3-10H,1-2,37-38H2
InChIKeyFZCFDDYPLUKASG-UHFFFAOYSA-N
XLogP8.50
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.43
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline (CID 175746950) is 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline is C=Cc1c(F)c(F)c(Oc2c(N)ccc(-c3ccc(N)cc3)c2Oc2c(F)c(F)c(C=C)c(F)c2F)c(F)c1F.
What is the InChIKey of 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline?
The InChIKey is FZCFDDYPLUKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16F8N2O2/c1-3-13-17(29)21(33)27(22(34)18(13)30)39-25-15(11-5-7-12(37)8-6-11)9-10-16(38)26(25)40-28-23(35)19(31)14(4-2)20(32)24(28)36/h3-10H,1-2,37-38H2.
What are the key properties of 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline?
4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline has a molecular weight of 564.43 g/mol, XLogP of 8.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3-bis(4-ethenyl-2,3,5,6-tetrafluorophenoxy)aniline is sourced from PubChem (CID 175746950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).