(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one

C10H9F2NO2 — CID 10198244

IUPAC(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-13-9(5-15-10(13)14)6-2-3-7(11)8(12)4-6/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyOHWFCDYDBQUUQR-SECBINFHSA-N
MW213.18 g/mol
LogP2.09
Rot. Bonds1

About (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one

(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one (PubChem CID 10198244) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one
PubChem CID10198244
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2NO2/c1-13-9(5-15-10(13)14)6-2-3-7(11)8(12)4-6/h2-4,9H,5H2,1H3/t9-/m1/s1
InChIKeyOHWFCDYDBQUUQR-SECBINFHSA-N
XLogP2.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.09
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
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
Locostatin
CID 5702600
(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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one (CID 10198244) is (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OC[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is OHWFCDYDBQUUQR-SECBINFHSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-13-9(5-15-10(13)14)6-2-3-7(11)8(12)4-6/h2-4,9H,5H2,1H3/t9-/m1/s1.
What are the key properties of (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one?
(4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-difluorophenyl)-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10198244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).