3-(2-aminooxyethyl)-2,4,5-trifluorophenol

C8H8F3NO2 — CID 117295383

IUPAC3-(2-aminooxyethyl)-2,4,5-trifluorophenol
SMILESNOCCc1c(F)c(O)cc(F)c1F
InChIInChI=1S/C8H8F3NO2/c9-5-3-6(13)8(11)4(7(5)10)1-2-14-12/h3,13H,1-2,12H2
InChIKeyLZUKTYXVQLZEFQ-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.24
Rot. Bonds3

About 3-(2-aminooxyethyl)-2,4,5-trifluorophenol

3-(2-aminooxyethyl)-2,4,5-trifluorophenol (PubChem CID 117295383) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-(2-aminooxyethyl)-2,4,5-trifluorophenol.

Molecular Properties

Compound Name3-(2-aminooxyethyl)-2,4,5-trifluorophenol
PubChem CID117295383
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-(2-aminooxyethyl)-2,4,5-trifluorophenol
SMILESNOCCc1c(F)c(O)cc(F)c1F
InChIInChI=1S/C8H8F3NO2/c9-5-3-6(13)8(11)4(7(5)10)1-2-14-12/h3,13H,1-2,12H2
InChIKeyLZUKTYXVQLZEFQ-UHFFFAOYSA-N
XLogP1.24
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trifluoro-3-[2-(methylamino)ethyl]phenol
CID 117293116
5-(2-aminooxyethyl)-3-fluorobenzene-1,2-diol
CID 117280609
1-(2,3,6-trifluoro-5-hydroxyphenyl)propan-2-one
CID 117292301
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
O-[2-(2,6-difluoro-3-methoxyphenyl)ethyl]hydroxylamine
CID 117291282
O-[2-(2,4-difluoro-6-methoxyphenyl)ethyl]hydroxylamine
CID 117291281
2,4,5-trifluorobenzene-1,3-diol
CID 10725692
methyl 5-(2-aminooxyethyl)-2,3-difluorobenzoate
CID 117333559
O-[2-(2-chloro-3-fluoro-5,6-dimethylphenyl)ethyl]hydroxylamine
CID 117310349
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminooxyethyl)-2,4,5-trifluorophenol?
The IUPAC name of 3-(2-aminooxyethyl)-2,4,5-trifluorophenol (CID 117295383) is 3-(2-aminooxyethyl)-2,4,5-trifluorophenol.
What is the SMILES notation for 3-(2-aminooxyethyl)-2,4,5-trifluorophenol?
The canonical SMILES for 3-(2-aminooxyethyl)-2,4,5-trifluorophenol is NOCCc1c(F)c(O)cc(F)c1F.
What is the InChIKey of 3-(2-aminooxyethyl)-2,4,5-trifluorophenol?
The InChIKey is LZUKTYXVQLZEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-5-3-6(13)8(11)4(7(5)10)1-2-14-12/h3,13H,1-2,12H2.
What are the key properties of 3-(2-aminooxyethyl)-2,4,5-trifluorophenol?
3-(2-aminooxyethyl)-2,4,5-trifluorophenol has a molecular weight of 207.15 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminooxyethyl)-2,4,5-trifluorophenol is sourced from PubChem (CID 117295383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).