(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol

C7H8F3NO2S — CID 99832734

IUPAC(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
SMILESO[C@H](CSCc1ccon1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)6(12)4-14-3-5-1-2-13-11-5/h1-2,6,12H,3-4H2/t6-/m1/s1
InChIKeyOMGXQPVOLYLWSA-ZCFIWIBFSA-N
MW227.21 g/mol
LogP1.83
Rot. Bonds4

About (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol

(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol (PubChem CID 99832734) has the molecular formula C7H8F3NO2S and a molecular weight of 227.21 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
PubChem CID99832734
Molecular FormulaC7H8F3NO2S
Molecular Weight227.21 g/mol
Exact Mass227.02
IUPAC Name(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol
SMILESO[C@H](CSCc1ccon1)C(F)(F)F
InChIInChI=1S/C7H8F3NO2S/c8-7(9,10)6(12)4-14-3-5-1-2-13-11-5/h1-2,6,12H,3-4H2/t6-/m1/s1
InChIKeyOMGXQPVOLYLWSA-ZCFIWIBFSA-N
XLogP1.83
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol (CID 99832734) is (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol is O[C@H](CSCc1ccon1)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol?
The InChIKey is OMGXQPVOLYLWSA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3NO2S/c8-7(9,10)6(12)4-14-3-5-1-2-13-11-5/h1-2,6,12H,3-4H2/t6-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol?
(2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol has a molecular weight of 227.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-(1,2-oxazol-3-ylmethylsulfanyl)propan-2-ol is sourced from PubChem (CID 99832734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).