1-[4-amino-3-(trifluoromethyl)anilino]ethenol

C9H9F3N2O — CID 143635678

IUPAC1-[4-amino-3-(trifluoromethyl)anilino]ethenol
SMILESC=C(O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4,14-15H,1,13H2
InChIKeyMMIXROAOOXUXGD-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.73
Rot. Bonds2

About 1-[4-amino-3-(trifluoromethyl)anilino]ethenol

1-[4-amino-3-(trifluoromethyl)anilino]ethenol (PubChem CID 143635678) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 1-[4-amino-3-(trifluoromethyl)anilino]ethenol.

Molecular Properties

Compound Name1-[4-amino-3-(trifluoromethyl)anilino]ethenol
PubChem CID143635678
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name1-[4-amino-3-(trifluoromethyl)anilino]ethenol
SMILESC=C(O)Nc1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4,14-15H,1,13H2
InChIKeyMMIXROAOOXUXGD-UHFFFAOYSA-N
XLogP2.73
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-amino-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)urea
CID 16777157
N-[4-amino-3-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 16776651
N-[4-amino-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 16770362
N-[4-amino-3-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161006
N-[4-amino-3-(trifluoromethyl)phenyl]-4-bromobenzamide
CID 16771044
3-[4-amino-3-(trifluoromethyl)phenyl]-1,1-diethylurea
CID 79154112
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
[1-[[4-amino-3-(trifluoromethyl)anilino]methyl]cyclopropyl]methanol
CID 113313129
N-[4-amino-3-(1,1-difluoroethyl)phenyl]acetamide
CID 143186185
(2S)-2-amino-2-[4-amino-3-(trifluoromethyl)phenyl]acetic acid
CID 66512963
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580
N-[4-amino-3-(trifluoromethyl)phenyl]-2-chloro-4-fluorobenzamide
CID 16776516

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-3-(trifluoromethyl)anilino]ethenol?
The IUPAC name of 1-[4-amino-3-(trifluoromethyl)anilino]ethenol (CID 143635678) is 1-[4-amino-3-(trifluoromethyl)anilino]ethenol.
What is the SMILES notation for 1-[4-amino-3-(trifluoromethyl)anilino]ethenol?
The canonical SMILES for 1-[4-amino-3-(trifluoromethyl)anilino]ethenol is C=C(O)Nc1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-amino-3-(trifluoromethyl)anilino]ethenol?
The InChIKey is MMIXROAOOXUXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-5(15)14-6-2-3-8(13)7(4-6)9(10,11)12/h2-4,14-15H,1,13H2.
What are the key properties of 1-[4-amino-3-(trifluoromethyl)anilino]ethenol?
1-[4-amino-3-(trifluoromethyl)anilino]ethenol has a molecular weight of 218.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-3-(trifluoromethyl)anilino]ethenol is sourced from PubChem (CID 143635678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).