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

C24H10F18N2O2 — CID 18691783

IUPAC3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(Oc2ccc(C(F)(F)F)c(Oc3c(C(F)(F)F)ccc(N)c3C(F)(F)F)c2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C24H10F18N2O2/c25-19(26,27)7-1-4-10(43)13(22(34,35)36)16(7)45-12-6-3-9(21(31,32)33)18(15(12)24(40,41)42)46-17-8(20(28,29)30)2-5-11(44)14(17)23(37,38)39/h1-6H,43-44H2
InChIKeyNWXMSZNXKSPTHC-UHFFFAOYSA-N
MW700.32 g/mol
LogP10.55
Rot. Bonds4

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

3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline (PubChem CID 18691783) has the molecular formula C24H10F18N2O2 and a molecular weight of 700.32 g/mol. Its IUPAC name is 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline
PubChem CID18691783
Molecular FormulaC24H10F18N2O2
Molecular Weight700.32 g/mol
Exact Mass700.05
IUPAC Name3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline
SMILESNc1ccc(C(F)(F)F)c(Oc2ccc(C(F)(F)F)c(Oc3c(C(F)(F)F)ccc(N)c3C(F)(F)F)c2C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C24H10F18N2O2/c25-19(26,27)7-1-4-10(43)13(22(34,35)36)16(7)45-12-6-3-9(21(31,32)33)18(15(12)24(40,41)42)46-17-8(20(28,29)30)2-5-11(44)14(17)23(37,38)39/h1-6H,43-44H2
InChIKeyNWXMSZNXKSPTHC-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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Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline?
The IUPAC name of 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline (CID 18691783) is 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline.
What is the SMILES notation for 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline?
The canonical SMILES for 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline is Nc1ccc(C(F)(F)F)c(Oc2ccc(C(F)(F)F)c(Oc3c(C(F)(F)F)ccc(N)c3C(F)(F)F)c2C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline?
The InChIKey is NWXMSZNXKSPTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F18N2O2/c25-19(26,27)7-1-4-10(43)13(22(34,35)36)16(7)45-12-6-3-9(21(31,32)33)18(15(12)24(40,41)42)46-17-8(20(28,29)30)2-5-11(44)14(17)23(37,38)39/h1-6H,43-44H2.
What are the key properties of 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline?
3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-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 3-[3-[3-amino-2,6-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)phenoxy]-2,4-bis(trifluoromethyl)aniline is sourced from PubChem (CID 18691783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).