2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol

C8H8F3NO2 — CID 117295401

IUPAC2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
SMILESONCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-5(4-12-14)7(13)3-6/h1-3,12-14H,4H2
InChIKeyHUJOAJIVKXIWAD-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.89
Rot. Bonds2

About 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol

2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol (PubChem CID 117295401) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
PubChem CID117295401
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol
SMILESONCc1ccc(C(F)(F)F)cc1O
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-5(4-12-14)7(13)3-6/h1-3,12-14H,4H2
InChIKeyHUJOAJIVKXIWAD-UHFFFAOYSA-N
XLogP1.89
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
2-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-(trifluoromethyl)phenol
CID 168972902
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
2-[(1-aminocyclopropyl)methyl]-5-(trifluoromethyl)phenol
CID 117333690
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(trifluoromethyl)phenol
CID 117220761
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol (CID 117295401) is 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol is ONCc1ccc(C(F)(F)F)cc1O.
What is the InChIKey of 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol?
The InChIKey is HUJOAJIVKXIWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)6-2-1-5(4-12-14)7(13)3-6/h1-3,12-14H,4H2.
What are the key properties of 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol?
2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol has a molecular weight of 207.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117295401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).