(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one

C11H8ClF4NO3S — CID 53343218

IUPAC(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H8ClF4NO3S/c12-10(13,14)11(15,16)21(19)17-8(6-20-9(17)18)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,21-/m0/s1
InChIKeyBCKSFFLKKGZLQB-PPRQPISWSA-N
MW345.70 g/mol
LogP3.27
Rot. Bonds4

About (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 53343218) has the molecular formula C11H8ClF4NO3S and a molecular weight of 345.70 g/mol. Its IUPAC name is (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID53343218
Molecular FormulaC11H8ClF4NO3S
Molecular Weight345.70 g/mol
Exact Mass344.98
IUPAC Name(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C11H8ClF4NO3S/c12-10(13,14)11(15,16)21(19)17-8(6-20-9(17)18)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,21-/m0/s1
InChIKeyBCKSFFLKKGZLQB-PPRQPISWSA-N
XLogP3.27
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.70
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
CID 11425945
(2S,4R)-1-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-2-ethoxy-4-phenyl-6-(trifluoromethyl)-3,4-dihydro-2H-pyridine
CID 50916628
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
methyl-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-[3-(trifluoromethyl)phenyl]methyl]azanide
CID 150054425
4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 162535976
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
CID 22291162
(4R)-4-phenyl-3-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-1,3-oxazolidin-2-one
CID 68991695
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one (CID 53343218) is (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)C(F)(F)Cl.
What is the InChIKey of (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BCKSFFLKKGZLQB-PPRQPISWSA-N. The full InChI is InChI=1S/C11H8ClF4NO3S/c12-10(13,14)11(15,16)21(19)17-8(6-20-9(17)18)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,21-/m0/s1.
What are the key properties of (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 345.70 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 53343218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).