2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide

C17H15F4NO3 — CID 95376483

IUPAC2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NC[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO3/c18-13-8-4-5-9-14(13)25-10-15(23)22-11-16(24,17(19,20)21)12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,22,23)/t16-/m1/s1
InChIKeyUWGSTQRDTIAYKN-MRXNPFEDSA-N
MW357.30 g/mol
LogP2.77
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide

2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide (PubChem CID 95376483) has the molecular formula C17H15F4NO3 and a molecular weight of 357.30 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
PubChem CID95376483
Molecular FormulaC17H15F4NO3
Molecular Weight357.30 g/mol
Exact Mass357.10
IUPAC Name2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
SMILESO=C(COc1ccccc1F)NC[C@@](O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H15F4NO3/c18-13-8-4-5-9-14(13)25-10-15(23)22-11-16(24,17(19,20)21)12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,22,23)/t16-/m1/s1
InChIKeyUWGSTQRDTIAYKN-MRXNPFEDSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
2-naphthalen-2-yloxy-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90498004
2-(2-fluorophenoxy)-N-(2-hydroxy-3-methoxy-2-methylpropyl)acetamide
CID 90500952
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzamide
CID 90497940
2-(2-fluorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787292
2-(2-fluorophenoxy)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480362
2-(2-fluorophenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 7700855
2-(2-fluorophenoxy)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7700300
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-(3,4-dimethoxyphenyl)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide
CID 95376510
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide (CID 95376483) is 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide is O=C(COc1ccccc1F)NC[C@@](O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide?
The InChIKey is UWGSTQRDTIAYKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H15F4NO3/c18-13-8-4-5-9-14(13)25-10-15(23)22-11-16(24,17(19,20)21)12-6-2-1-3-7-12/h1-9,24H,10-11H2,(H,22,23)/t16-/m1/s1.
What are the key properties of 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide?
2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide has a molecular weight of 357.30 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]acetamide is sourced from PubChem (CID 95376483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).