N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H14F3NO3 — CID 103945351

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)8-19-7-11(18)16-10(6-17)9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1
InChIKeyXMRXFJWNFKHQPM-SNVBAGLBSA-N
MW277.24 g/mol
LogP1.42
Rot. Bonds6

About N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103945351) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103945351
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)N[C@H](CO)c1ccccc1
InChIInChI=1S/C12H14F3NO3/c13-12(14,15)8-19-7-11(18)16-10(6-17)9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1
InChIKeyXMRXFJWNFKHQPM-SNVBAGLBSA-N
XLogP1.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915357
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-[(1R)-2-hydroxy-1-phenylethyl]-2-phenoxyacetamide
CID 39370051
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
2-(2-fluorophenoxy)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 103772671
2-(2-hydroxyphenoxy)-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103945081
2-chloro-2,2-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 40562691
N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308028
N-[(2S)-3-methyl-3-phenylbutan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 95308027
2-butan-2-yloxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 110001669
N-(1-amino-3-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212909

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103945351) is N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)N[C@H](CO)c1ccccc1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XMRXFJWNFKHQPM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NO3/c13-12(14,15)8-19-7-11(18)16-10(6-17)9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,16,18)/t10-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 277.24 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103945351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).