2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline

C13H10F4N2O — CID 66487930

IUPAC2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C13H10F4N2O/c14-9-6-8(18)2-4-11(9)20-12-3-1-7(5-10(12)19)13(15,16)17/h1-6H,18-19H2
InChIKeyIBVWBZKPJGAOCW-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.80
Rot. Bonds2

About 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline

2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline (PubChem CID 66487930) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
PubChem CID66487930
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
SMILESNc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C13H10F4N2O/c14-9-6-8(18)2-4-11(9)20-12-3-1-7(5-10(12)19)13(15,16)17/h1-6H,18-19H2
InChIKeyIBVWBZKPJGAOCW-UHFFFAOYSA-N
XLogP3.80
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-4-[2-[3-amino-4-(2,4-diaminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]benzene-1,3-diamine
CID 141166403
4-(2-aminophenoxy)-3-fluoroaniline
CID 66486737
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 26189386
2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-3-fluoroaniline
CID 57107456
2-[2-bromo-4-(trifluoromethyl)phenoxy]aniline
CID 115511816
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
4-chloro-3-(trifluoromethyl)aniline;2-methoxy-5-(trifluoromethyl)aniline
CID 23137212
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
CID 167728223
3-fluoro-4-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]aniline
CID 114449793
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
2-[(2-fluorophenyl)methoxy]-5-(trifluoromethyl)aniline
CID 63933444

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline (CID 66487930) is 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(C(F)(F)F)cc2N)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is IBVWBZKPJGAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c14-9-6-8(18)2-4-11(9)20-12-3-1-7(5-10(12)19)13(15,16)17/h1-6H,18-19H2.
What are the key properties of 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline?
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 286.23 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66487930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).