(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one

C11H12FNO2 — CID 139043414

IUPAC(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@](F)(c1ccccc1)[C@@H]1COC(=O)N1
InChIInChI=1S/C11H12FNO2/c1-11(12,8-5-3-2-4-6-8)9-7-15-10(14)13-9/h2-6,9H,7H2,1H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyQQFDCIPGKZYJCC-ONGXEEELSA-N
MW209.22 g/mol
LogP1.98
Rot. Bonds2

About (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one

(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one (PubChem CID 139043414) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one
PubChem CID139043414
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one
SMILESC[C@](F)(c1ccccc1)[C@@H]1COC(=O)N1
InChIInChI=1S/C11H12FNO2/c1-11(12,8-5-3-2-4-6-8)9-7-15-10(14)13-9/h2-6,9H,7H2,1H3,(H,13,14)/t9-,11-/m0/s1
InChIKeyQQFDCIPGKZYJCC-ONGXEEELSA-N
XLogP1.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one (CID 139043414) is (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one is C[C@](F)(c1ccccc1)[C@@H]1COC(=O)N1.
What is the InChIKey of (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one?
The InChIKey is QQFDCIPGKZYJCC-ONGXEEELSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-11(12,8-5-3-2-4-6-8)9-7-15-10(14)13-9/h2-6,9H,7H2,1H3,(H,13,14)/t9-,11-/m0/s1.
What are the key properties of (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one?
(4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1S)-1-fluoro-1-phenylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139043414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).