5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline

C23H24F6N2O4 — CID 154729248

IUPAC5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline
SMILESC=COCCOc1ccc(C(c2ccc(OCCOC=C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N
InChIInChI=1S/C23H24F6N2O4/c1-3-32-9-11-34-19-7-5-15(13-17(19)30)21(22(24,25)26,23(27,28)29)16-6-8-20(18(31)14-16)35-12-10-33-4-2/h3-8,13-14H,1-2,9-12,30-31H2
InChIKeyAAPGZWQVGXAYSG-UHFFFAOYSA-N
MW506.44 g/mol
LogP5.34
Rot. Bonds12

About 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline

5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline (PubChem CID 154729248) has the molecular formula C23H24F6N2O4 and a molecular weight of 506.44 g/mol. Its IUPAC name is 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline.

Molecular Properties

Compound Name5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline
PubChem CID154729248
Molecular FormulaC23H24F6N2O4
Molecular Weight506.44 g/mol
Exact Mass506.16
IUPAC Name5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline
SMILESC=COCCOc1ccc(C(c2ccc(OCCOC=C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N
InChIInChI=1S/C23H24F6N2O4/c1-3-32-9-11-34-19-7-5-15(13-17(19)30)21(22(24,25)26,23(27,28)29)16-6-8-20(18(31)14-16)35-12-10-33-4-2/h3-8,13-14H,1-2,9-12,30-31H2
InChIKeyAAPGZWQVGXAYSG-UHFFFAOYSA-N
XLogP5.34
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.44
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline?
The IUPAC name of 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline (CID 154729248) is 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline.
What is the SMILES notation for 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline?
The canonical SMILES for 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline is C=COCCOc1ccc(C(c2ccc(OCCOC=C)c(N)c2)(C(F)(F)F)C(F)(F)F)cc1N.
What is the InChIKey of 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline?
The InChIKey is AAPGZWQVGXAYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O4/c1-3-32-9-11-34-19-7-5-15(13-17(19)30)21(22(24,25)26,23(27,28)29)16-6-8-20(18(31)14-16)35-12-10-33-4-2/h3-8,13-14H,1-2,9-12,30-31H2.
What are the key properties of 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline?
5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline has a molecular weight of 506.44 g/mol, XLogP of 5.34, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-amino-4-(2-ethenoxyethoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(2-ethenoxyethoxy)aniline is sourced from PubChem (CID 154729248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).