2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol

C8H8F3NO2 — CID 144535425

IUPAC2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol
SMILESONCC(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C8H8F3NO2/c9-5-2-7(11)6(10)1-4(5)8(13)3-12-14/h1-2,8,12-14H,3H2
InChIKeyFAHSBPJJUGHVLV-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.12
Rot. Bonds3

About 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol

2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol (PubChem CID 144535425) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol
PubChem CID144535425
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol
SMILESONCC(O)c1cc(F)c(F)cc1F
InChIInChI=1S/C8H8F3NO2/c9-5-2-7(11)6(10)1-4(5)8(13)3-12-14/h1-2,8,12-14H,3H2
InChIKeyFAHSBPJJUGHVLV-UHFFFAOYSA-N
XLogP1.12
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.12
H-Bond Donors ≤ 53
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

(1R)-1-(2,4,5-trifluorophenyl)propan-1-ol
CID 103304921
1-(2,4,5-trifluorophenyl)pentan-1-ol
CID 19885905
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
(1S,3S)-3-amino-4,4,4-trifluoro-1-(2,4,5-trifluorophenyl)butan-1-ol
CID 171237196
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
CID 62815556
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(5-chloro-2-fluorophenyl)-2-hydrazinylethanol
CID 82649992
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol (CID 144535425) is 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol is ONCC(O)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol?
The InChIKey is FAHSBPJJUGHVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-5-2-7(11)6(10)1-4(5)8(13)3-12-14/h1-2,8,12-14H,3H2.
What are the key properties of 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol?
2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol has a molecular weight of 207.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-(2,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 144535425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).