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

C20H14F6N2O2 — CID 19805071

IUPAC4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
InChIKeyLACZRKUWKHQVKS-UHFFFAOYSA-N
MW428.33 g/mol
LogP6.47
Rot. Bonds4

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

4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline (PubChem CID 19805071) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
PubChem CID19805071
Molecular FormulaC20H14F6N2O2
Molecular Weight428.33 g/mol
Exact Mass428.10
IUPAC Name4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1
InChIInChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2
InChIKeyLACZRKUWKHQVKS-UHFFFAOYSA-N
XLogP6.47
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 56.47
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

Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-
CID 94652
5-Amino-2-methoxybenzotrifluoride
CID 600705
1,4-Bis(4-aminophenoxy)benzene
CID 19012
4-(2-Phenylphenoxy)aniline
CID 902705
4-[4-(4-Aminophenoxy)-2,3,5,6-tetrafluorophenoxy]aniline
CID 1241482
4-(o-Tolyloxy)aniline
CID 92505
4,4'-[[1,1'-Biphenyl]-2,2'-diylbis(oxy)]dianiline
CID 1107279
4,4'-((1,1'-Biphenyl)-2,5-diylbis(oxy))bis(benzenamine)
CID 125103
N-(4-phenoxyphenyl)-3-(trifluoromethyl)aniline
CID 145965511
4-[[4-(Trifluoromethyl)phenyl]methoxy]aniline;hydrochloride
CID 145978282
4-(3-Fluoro-benzyloxy)-phenylamine hydrochloride
CID 22055258
4-[(2-Fluorophenyl)methoxy]aniline hydrochloride
CID 47002592

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline (CID 19805071) is 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)cc2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline?
The InChIKey is LACZRKUWKHQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c21-19(22,23)15-9-11(27)1-7-17(15)29-13-3-5-14(6-4-13)30-18-8-2-12(28)10-16(18)20(24,25)26/h1-10H,27-28H2.
What are the key properties of 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline?
4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 428.33 g/mol, XLogP of 6.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-amino-2-(trifluoromethyl)phenoxy]phenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 19805071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).