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

C24H10F18N2O2 — CID 18691812

IUPAC5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline
SMILESNc1cc(Oc2cc(Oc3cc(N)c(C(F)(F)F)c(C(F)(F)F)c3)c(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C24H10F18N2O2/c25-19(26,27)9-5-10(20(28,29)30)16(46-8-2-12(22(34,35)36)18(14(44)4-8)24(40,41)42)6-15(9)45-7-1-11(21(31,32)33)17(13(43)3-7)23(37,38)39/h1-6H,43-44H2
InChIKeyHDOYMADXKDHGFK-UHFFFAOYSA-N
MW700.32 g/mol
LogP10.55
Rot. Bonds4

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

5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline (PubChem CID 18691812) has the molecular formula C24H10F18N2O2 and a molecular weight of 700.32 g/mol. Its IUPAC name is 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline
PubChem CID18691812
Molecular FormulaC24H10F18N2O2
Molecular Weight700.32 g/mol
Exact Mass700.05
IUPAC Name5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline
SMILESNc1cc(Oc2cc(Oc3cc(N)c(C(F)(F)F)c(C(F)(F)F)c3)c(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C24H10F18N2O2/c25-19(26,27)9-5-10(20(28,29)30)16(46-8-2-12(22(34,35)36)18(14(44)4-8)24(40,41)42)6-15(9)45-7-1-11(21(31,32)33)17(13(43)3-7)23(37,38)39/h1-6H,43-44H2
InChIKeyHDOYMADXKDHGFK-UHFFFAOYSA-N
XLogP10.55
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.32
LogP ≤ 510.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[3-amino-4-(trifluoromethyl)phenoxy]-4,5-bis(trifluoromethyl)phenoxy]-2-(trifluoromethyl)aniline
CID 18691823
5-[3-[3-amino-5-fluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-(trifluoromethyl)phenoxy]-3-fluoro-2-(trifluoromethyl)aniline
CID 18692023
3-[5-[3-amino-6-fluoro-2-(trifluoromethyl)phenoxy]-4-fluoro-2-(trifluoromethyl)phenoxy]-4-fluoro-2-(trifluoromethyl)aniline
CID 18692094
3-[3-(5-amino-2,3-difluorophenoxy)-4,5-bis(trifluoromethyl)phenoxy]-4,5-difluoroaniline
CID 18692084
5-[3-[3-amino-5-fluoro-4-(trifluoromethyl)phenoxy]-2,5-difluoro-4-(trifluoromethyl)phenoxy]-3-fluoro-2-(trifluoromethyl)aniline
CID 18692050
5-[3-[5-amino-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline
CID 18691924
3-[5-[3-amino-2,4-difluoro-6-(trifluoromethyl)phenoxy]-4-fluoro-2-(trifluoromethyl)phenoxy]-2,6-difluoro-4-(trifluoromethyl)aniline
CID 18692245
3-[3-[3-amino-4-fluoro-2-(trifluoromethyl)phenoxy]-4-(trifluoromethyl)phenoxy]-6-fluoro-2-(trifluoromethyl)aniline
CID 18692220
2,4-bis(trifluoromethyl)-5-[2-(trifluoromethyl)phenoxy]aniline
CID 57128083
3-[3-[5-amino-3-fluoro-2-(trifluoromethyl)phenoxy]-5-fluoro-4-(trifluoromethyl)phenoxy]-5-fluoro-4-(trifluoromethyl)aniline
CID 18691816
5-methoxy-2,4-bis(trifluoromethyl)aniline
CID 134640552
5-[3-[5-amino-2,4-difluoro-3-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenoxy]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 18691894

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline?
The IUPAC name of 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline (CID 18691812) is 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline.
What is the SMILES notation for 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline?
The canonical SMILES for 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline is Nc1cc(Oc2cc(Oc3cc(N)c(C(F)(F)F)c(C(F)(F)F)c3)c(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline?
The InChIKey is HDOYMADXKDHGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F18N2O2/c25-19(26,27)9-5-10(20(28,29)30)16(46-8-2-12(22(34,35)36)18(14(44)4-8)24(40,41)42)6-15(9)45-7-1-11(21(31,32)33)17(13(43)3-7)23(37,38)39/h1-6H,43-44H2.
What are the key properties of 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline?
5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline has a molecular weight of 700.32 g/mol, XLogP of 10.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-amino-4,5-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,3-bis(trifluoromethyl)aniline is sourced from PubChem (CID 18691812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).