(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol

C8H10F3NO2S — CID 99832584

IUPAC(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol
SMILESCc1cc(CSC[C@@H](O)C(F)(F)F)no1
InChIInChI=1S/C8H10F3NO2S/c1-5-2-6(12-14-5)3-15-4-7(13)8(9,10)11/h2,7,13H,3-4H2,1H3/t7-/m1/s1
InChIKeyHPSFBAFTSRZPMD-SSDOTTSWSA-N
MW241.23 g/mol
LogP2.14
Rot. Bonds4

About (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol (PubChem CID 99832584) has the molecular formula C8H10F3NO2S and a molecular weight of 241.23 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol
PubChem CID99832584
Molecular FormulaC8H10F3NO2S
Molecular Weight241.23 g/mol
Exact Mass241.04
IUPAC Name(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol
SMILESCc1cc(CSC[C@@H](O)C(F)(F)F)no1
InChIInChI=1S/C8H10F3NO2S/c1-5-2-6(12-14-5)3-15-4-7(13)8(9,10)11/h2,7,13H,3-4H2,1H3/t7-/m1/s1
InChIKeyHPSFBAFTSRZPMD-SSDOTTSWSA-N
XLogP2.14
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.23
LogP ≤ 52.14
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-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol (CID 99832584) is (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol is Cc1cc(CSC[C@@H](O)C(F)(F)F)no1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol?
The InChIKey is HPSFBAFTSRZPMD-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10F3NO2S/c1-5-2-6(12-14-5)3-15-4-7(13)8(9,10)11/h2,7,13H,3-4H2,1H3/t7-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol has a molecular weight of 241.23 g/mol, XLogP of 2.14, 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-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propan-2-ol is sourced from PubChem (CID 99832584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).