2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide

C11H14FNO2 — CID 134893613

IUPAC2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CF)[C@@H](O)c1ccccc1
InChIInChI=1S/C11H14FNO2/c1-8(13-10(14)7-12)11(15)9-5-3-2-4-6-9/h2-6,8,11,15H,7H2,1H3,(H,13,14)/t8-,11+/m0/s1
InChIKeyLVVJIMMJQIQXIK-GZMMTYOYSA-N
MW211.24 g/mol
LogP1.19
Rot. Bonds4

About 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide

2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide (PubChem CID 134893613) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
PubChem CID134893613
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide
SMILESC[C@H](NC(=O)CF)[C@@H](O)c1ccccc1
InChIInChI=1S/C11H14FNO2/c1-8(13-10(14)7-12)11(15)9-5-3-2-4-6-9/h2-6,8,11,15H,7H2,1H3,(H,13,14)/t8-,11+/m0/s1
InChIKeyLVVJIMMJQIQXIK-GZMMTYOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Pseudoephedrine Hydrochloride
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DL-Ephedrine
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(-)-Norpseudoephedrine
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N-Methylphenylethanolamine
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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide (CID 134893613) is 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide is C[C@H](NC(=O)CF)[C@@H](O)c1ccccc1.
What is the InChIKey of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide?
The InChIKey is LVVJIMMJQIQXIK-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(13-10(14)7-12)11(15)9-5-3-2-4-6-9/h2-6,8,11,15H,7H2,1H3,(H,13,14)/t8-,11+/m0/s1.
What are the key properties of 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide?
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide has a molecular weight of 211.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 134893613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).