hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium

C7H7F3NO2+ — CID 143262859

IUPAChydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium
SMILESO[NH2+]c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(11-13)3-6(12)2-4/h1-3,11-13H/p+1
InChIKeyNQDDYWHMKVQRNL-UHFFFAOYSA-O
MW194.13 g/mol
LogP1.00
Rot. Bonds1

About hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium

hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium (PubChem CID 143262859) has the molecular formula C7H7F3NO2+ and a molecular weight of 194.13 g/mol. Its IUPAC name is hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium.

Molecular Properties

Compound Namehydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium
PubChem CID143262859
Molecular FormulaC7H7F3NO2+
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Namehydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium
SMILESO[NH2+]c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(11-13)3-6(12)2-4/h1-3,11-13H/p+1
InChIKeyNQDDYWHMKVQRNL-UHFFFAOYSA-O
XLogP1.00
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium?
The IUPAC name of hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium (CID 143262859) is hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium.
What is the SMILES notation for hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium?
The canonical SMILES for hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium is O[NH2+]c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium?
The InChIKey is NQDDYWHMKVQRNL-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)4-1-5(11-13)3-6(12)2-4/h1-3,11-13H/p+1.
What are the key properties of hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium?
hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium has a molecular weight of 194.13 g/mol, XLogP of 1.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-hydroxy-5-(trifluoromethyl)phenyl]azanium is sourced from PubChem (CID 143262859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).