1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol

C6H6F3NO2S — CID 106923593

IUPAC1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ncco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)4(11)3-13-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyWNLHFMUABRMEJU-UHFFFAOYSA-N
MW213.18 g/mol
LogP1.69
Rot. Bonds3

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

1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (PubChem CID 106923593) has the molecular formula C6H6F3NO2S and a molecular weight of 213.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
PubChem CID106923593
Molecular FormulaC6H6F3NO2S
Molecular Weight213.18 g/mol
Exact Mass213.01
IUPAC Name1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol
SMILESOC(CSc1ncco1)C(F)(F)F
InChIInChI=1S/C6H6F3NO2S/c7-6(8,9)4(11)3-13-5-10-1-2-12-5/h1-2,4,11H,3H2
InChIKeyWNLHFMUABRMEJU-UHFFFAOYSA-N
XLogP1.69
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Butylsulfanyl-1,3-oxazole
CID 11171120
2-(3,4,4-Trifluoro-3-butenylthio)oxazole
CID 12993958
2-(3,4,4-Trifluoro-3-butenylsulfinyl)oxazole
CID 12993959
2-(3,4,4-Trifluorobut-3-enylsulfonyl)-1,3-oxazole
CID 12993960
2-(4,4-Difluorobut-3-enylsulfanyl)-1,3-oxazole
CID 21850358
2-(4,4,4-Trifluorobut-1-enylsulfanyl)-1,3-oxazole
CID 66953876
2-(3,4,4-Trifluorobut-1-enylsulfinyl)-1,3-oxazole
CID 91101186
2-Butylsulfanyl-5-deuterio-1,3-oxazole
CID 134857604
Ethyl 2-fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetate
CID 106920715
2,2-Difluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920746
2-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)acetic acid
CID 106920780
3,3,3-Trifluoro-2-(1,3-oxazol-2-ylsulfanylmethyl)propanoic acid
CID 106920781

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol (CID 106923593) is 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is OC(CSc1ncco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
The InChIKey is WNLHFMUABRMEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO2S/c7-6(8,9)4(11)3-13-5-10-1-2-12-5/h1-2,4,11H,3H2.
What are the key properties of 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol?
1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol has a molecular weight of 213.18 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(1,3-oxazol-2-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 106923593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).