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

C14H10F6N2O — CID 22184052

IUPAC4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H,21-22H2
InChIKeyNKYXYJFTTIPZDE-UHFFFAOYSA-N
MW336.24 g/mol
LogP4.68
Rot. Bonds2

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

4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline (PubChem CID 22184052) has the molecular formula C14H10F6N2O and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline
PubChem CID22184052
Molecular FormulaC14H10F6N2O
Molecular Weight336.24 g/mol
Exact Mass336.07
IUPAC Name4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F6N2O/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H,21-22H2
InChIKeyNKYXYJFTTIPZDE-UHFFFAOYSA-N
XLogP4.68
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.24
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline (CID 22184052) is 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(N)cc2C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline?
The InChIKey is NKYXYJFTTIPZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2O/c15-13(16,17)9-5-7(21)1-3-11(9)23-12-4-2-8(22)6-10(12)14(18,19)20/h1-6H,21-22H2.
What are the key properties of 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline?
4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 336.24 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 22184052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).