N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide

C10H9F4NO2 — CID 171471199

IUPACN-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)N[C@H](c1cc(F)ccc1O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-5(16)15-9(10(12,13)14)7-4-6(11)2-3-8(7)17/h2-4,9,17H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyPUJMMLMPQMELRC-SECBINFHSA-N
MW251.18 g/mol
LogP2.27
Rot. Bonds2

About N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide

N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide (PubChem CID 171471199) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide
PubChem CID171471199
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC NameN-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide
SMILESCC(=O)N[C@H](c1cc(F)ccc1O)C(F)(F)F
InChIInChI=1S/C10H9F4NO2/c1-5(16)15-9(10(12,13)14)7-4-6(11)2-3-8(7)17/h2-4,9,17H,1H3,(H,15,16)/t9-/m1/s1
InChIKeyPUJMMLMPQMELRC-SECBINFHSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyltyramine
CID 121051
2-{[(1-Phenylethyl)amino]methyl}phenol
CID 3669487
2-[(Butylamino)methyl]phenol
CID 487839
2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
CID 16037872
5-Fluoro-2-hydroxy-N-isopropyl-benzamide
CID 44321262
N-[(4-hydroxyphenyl)methyl]acetamide
CID 458498
2-Cyclohexylaminomethyl-phenol
CID 408357
2,2,2-Trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 572282
2-[[2-(2-Fluorophenyl)ethylamino]methyl]phenol
CID 28449746
2-[[3-(2-Fluorophenyl)propylamino]methyl]phenol
CID 134131682
2-[1-(Benzylamino)ethyl]phenol
CID 2731803
2,2,2-Trifluoro-1-[3-(2-hydroxyphenyl)-5-methyl-3,4-dihydropyrazol-2-yl]ethanone
CID 127034298

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide?
The IUPAC name of N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide (CID 171471199) is N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide?
The canonical SMILES for N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide is CC(=O)N[C@H](c1cc(F)ccc1O)C(F)(F)F.
What is the InChIKey of N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide?
The InChIKey is PUJMMLMPQMELRC-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-5(16)15-9(10(12,13)14)7-4-6(11)2-3-8(7)17/h2-4,9,17H,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide?
N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide has a molecular weight of 251.18 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2,2,2-trifluoro-1-(5-fluoro-2-hydroxyphenyl)ethyl]acetamide is sourced from PubChem (CID 171471199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).