5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline

C21H7F15N2O2 — CID 18692347

IUPAC5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline
SMILESNc1cc(Oc2c(F)cc(C(F)(F)F)c(Oc3cc(N)c(F)c(F)c3C(F)(F)F)c2F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C21H7F15N2O2/c22-5-1-4(19(28,29)30)17(39-8-2-6(37)12(23)14(25)10(8)20(31,32)33)16(27)18(5)40-9-3-7(38)13(24)15(26)11(9)21(34,35)36/h1-3H,37-38H2
InChIKeyQQIKDTQJNZZHNP-UHFFFAOYSA-N
MW604.27 g/mol
LogP8.33
Rot. Bonds4

About 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline

5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline (PubChem CID 18692347) has the molecular formula C21H7F15N2O2 and a molecular weight of 604.27 g/mol. Its IUPAC name is 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline
PubChem CID18692347
Molecular FormulaC21H7F15N2O2
Molecular Weight604.27 g/mol
Exact Mass604.03
IUPAC Name5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline
SMILESNc1cc(Oc2c(F)cc(C(F)(F)F)c(Oc3cc(N)c(F)c(F)c3C(F)(F)F)c2F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C21H7F15N2O2/c22-5-1-4(19(28,29)30)17(39-8-2-6(37)12(23)14(25)10(8)20(31,32)33)16(27)18(5)40-9-3-7(38)13(24)15(26)11(9)21(34,35)36/h1-3H,37-38H2
InChIKeyQQIKDTQJNZZHNP-UHFFFAOYSA-N
XLogP8.33
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.27
LogP ≤ 58.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline 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 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline (CID 18692347) is 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline is Nc1cc(Oc2c(F)cc(C(F)(F)F)c(Oc3cc(N)c(F)c(F)c3C(F)(F)F)c2F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is QQIKDTQJNZZHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H7F15N2O2/c22-5-1-4(19(28,29)30)17(39-8-2-6(37)12(23)14(25)10(8)20(31,32)33)16(27)18(5)40-9-3-7(38)13(24)15(26)11(9)21(34,35)36/h1-3H,37-38H2.
What are the key properties of 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline?
5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 604.27 g/mol, XLogP of 8.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-6-(trifluoromethyl)phenoxy]-2,3-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 18692347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).