(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one

C10H8F3NO3S — CID 11425945

IUPAC(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)18(16)14-8(6-17-9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,18-/m0/s1
InChIKeyFFVVRUCKJPRZHI-ASCAZGACSA-N
MW279.24 g/mol
LogP2.36
Rot. Bonds2

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

(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one (PubChem CID 11425945) has the molecular formula C10H8F3NO3S and a molecular weight of 279.24 g/mol. Its IUPAC name is (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
PubChem CID11425945
Molecular FormulaC10H8F3NO3S
Molecular Weight279.24 g/mol
Exact Mass279.02
IUPAC Name(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)F
InChIInChI=1S/C10H8F3NO3S/c11-10(12,13)18(16)14-8(6-17-9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,18-/m0/s1
InChIKeyFFVVRUCKJPRZHI-ASCAZGACSA-N
XLogP2.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(S)-(2-chloro-1,1,2,2-tetrafluoroethyl)sulfinyl]-4-phenyl-1,3-oxazolidin-2-one
CID 53343218
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(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
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
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,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4S)-3-[(3R)-3-hydroxy-2,2-dimethylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134277901

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one (CID 11425945) is (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](c2ccccc2)N1[S@@](=O)C(F)(F)F.
What is the InChIKey of (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one?
The InChIKey is FFVVRUCKJPRZHI-ASCAZGACSA-N. The full InChI is InChI=1S/C10H8F3NO3S/c11-10(12,13)18(16)14-8(6-17-9(14)15)7-4-2-1-3-5-7/h1-5,8H,6H2/t8-,18-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one has a molecular weight of 279.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11425945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).