3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline

C19H9F9N2O2 — CID 18692312

IUPAC3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline
SMILESNc1cc(F)c(F)c(Oc2cc(F)c(C(F)(F)F)c(Oc3cc(N)cc(F)c3F)c2F)c1
InChIInChI=1S/C19H9F9N2O2/c20-8-5-13(31-11-3-6(29)1-9(21)15(11)23)17(25)18(14(8)19(26,27)28)32-12-4-7(30)2-10(22)16(12)24/h1-5H,29-30H2
InChIKeyUVLMIIBABODCBO-UHFFFAOYSA-N
MW468.28 g/mol
LogP6.29
Rot. Bonds4

About 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline

3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline (PubChem CID 18692312) has the molecular formula C19H9F9N2O2 and a molecular weight of 468.28 g/mol. Its IUPAC name is 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline.

Molecular Properties

Compound Name3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline
PubChem CID18692312
Molecular FormulaC19H9F9N2O2
Molecular Weight468.28 g/mol
Exact Mass468.05
IUPAC Name3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline
SMILESNc1cc(F)c(F)c(Oc2cc(F)c(C(F)(F)F)c(Oc3cc(N)cc(F)c3F)c2F)c1
InChIInChI=1S/C19H9F9N2O2/c20-8-5-13(31-11-3-6(29)1-9(21)15(11)23)17(25)18(14(8)19(26,27)28)32-12-4-7(30)2-10(22)16(12)24/h1-5H,29-30H2
InChIKeyUVLMIIBABODCBO-UHFFFAOYSA-N
XLogP6.29
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.28
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline?
The IUPAC name of 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline (CID 18692312) is 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline.
What is the SMILES notation for 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline?
The canonical SMILES for 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline is Nc1cc(F)c(F)c(Oc2cc(F)c(C(F)(F)F)c(Oc3cc(N)cc(F)c3F)c2F)c1.
What is the InChIKey of 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline?
The InChIKey is UVLMIIBABODCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F9N2O2/c20-8-5-13(31-11-3-6(29)1-9(21)15(11)23)17(25)18(14(8)19(26,27)28)32-12-4-7(30)2-10(22)16(12)24/h1-5H,29-30H2.
What are the key properties of 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline?
3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline has a molecular weight of 468.28 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-amino-2,3-difluorophenoxy)-2,5-difluoro-4-(trifluoromethyl)phenoxy]-4,5-difluoroaniline is sourced from PubChem (CID 18692312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).