3-(3-aminophenyl)-5-(trifluoromethoxy)phenol

C13H10F3NO2 — CID 53221916

IUPAC3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
SMILESNc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,18H,17H2
InChIKeyQMYXBCRCPPWKEJ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.54
Rot. Bonds2

About 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol

3-(3-aminophenyl)-5-(trifluoromethoxy)phenol (PubChem CID 53221916) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
PubChem CID53221916
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
SMILESNc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,18H,17H2
InChIKeyQMYXBCRCPPWKEJ-UHFFFAOYSA-N
XLogP3.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.54
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

3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
CID 53221935
3-(3-methylphenyl)-5-(trifluoromethoxy)aniline
CID 166176237
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
2-chloro-5-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzamide
CID 53222149
3-(2-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221910
2-fluoro-4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222099

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol?
The IUPAC name of 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol (CID 53221916) is 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol.
What is the SMILES notation for 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol?
The canonical SMILES for 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol is Nc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol?
The InChIKey is QMYXBCRCPPWKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)19-12-6-9(5-11(18)7-12)8-2-1-3-10(17)4-8/h1-7,18H,17H2.
What are the key properties of 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol?
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol has a molecular weight of 269.22 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-(trifluoromethoxy)phenol is sourced from PubChem (CID 53221916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).