(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide

C9H10FNO2 — CID 23234195

IUPAC(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide
SMILESNC(=O)[C@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FNO2/c10-7(8(12)9(11)13)6-4-2-1-3-5-6/h1-5,7-8,12H,(H2,11,13)/t7-,8-/m1/s1
InChIKeyKAPDVJBTCAXYMX-HTQZYQBOSA-N
MW183.18 g/mol
LogP0.54
Rot. Bonds3

About (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide

(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide (PubChem CID 23234195) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide
PubChem CID23234195
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide
SMILESNC(=O)[C@H](O)[C@H](F)c1ccccc1
InChIInChI=1S/C9H10FNO2/c10-7(8(12)9(11)13)6-4-2-1-3-5-6/h1-5,7-8,12H,(H2,11,13)/t7-,8-/m1/s1
InChIKeyKAPDVJBTCAXYMX-HTQZYQBOSA-N
XLogP0.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide?
The IUPAC name of (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide (CID 23234195) is (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide.
What is the SMILES notation for (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide?
The canonical SMILES for (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide is NC(=O)[C@H](O)[C@H](F)c1ccccc1.
What is the InChIKey of (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide?
The InChIKey is KAPDVJBTCAXYMX-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7(8(12)9(11)13)6-4-2-1-3-5-6/h1-5,7-8,12H,(H2,11,13)/t7-,8-/m1/s1.
What are the key properties of (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide?
(2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide has a molecular weight of 183.18 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-2-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 23234195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).