(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one

C11H9F2NO2 — CID 135014950

IUPAC(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1C=C(F)F
InChIInChI=1S/C11H9F2NO2/c12-10(13)6-14-9(7-16-11(14)15)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1
InChIKeyVKIUZEJKWLKSIG-VIFPVBQESA-N
MW225.19 g/mol
LogP2.92
Rot. Bonds2

About (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 135014950) has the molecular formula C11H9F2NO2 and a molecular weight of 225.19 g/mol. Its IUPAC name is (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID135014950
Molecular FormulaC11H9F2NO2
Molecular Weight225.19 g/mol
Exact Mass225.06
IUPAC Name(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1C=C(F)F
InChIInChI=1S/C11H9F2NO2/c12-10(13)6-14-9(7-16-11(14)15)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1
InChIKeyVKIUZEJKWLKSIG-VIFPVBQESA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Phenyloxazolidin-2-one
CID 349728
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
(4S)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992675
(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992676
(4S)-3-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 6711953
3-[3-Fluoro-2-(trifluoromethyl)benzyl]-1,3-oxazolidin-2-one
CID 72858836
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one (CID 135014950) is (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1C=C(F)F.
What is the InChIKey of (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VKIUZEJKWLKSIG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H9F2NO2/c12-10(13)6-14-9(7-16-11(14)15)8-4-2-1-3-5-8/h1-6,9H,7H2/t9-/m0/s1.
What are the key properties of (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 225.19 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,2-difluoroethenyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135014950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).