4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol

C7H11F3O2S — CID 83191548

IUPAC4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol
SMILESOC1CSCC1CC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c8-7(9,10)6(12)1-4-2-13-3-5(4)11/h4-6,11-12H,1-3H2
InChIKeyWWMGMBOLBNSMMJ-UHFFFAOYSA-N
MW216.22 g/mol
LogP1.02
Rot. Bonds2

About 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol

4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol (PubChem CID 83191548) has the molecular formula C7H11F3O2S and a molecular weight of 216.22 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol
PubChem CID83191548
Molecular FormulaC7H11F3O2S
Molecular Weight216.22 g/mol
Exact Mass216.04
IUPAC Name4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol
SMILESOC1CSCC1CC(O)C(F)(F)F
InChIInChI=1S/C7H11F3O2S/c8-7(9,10)6(12)1-4-2-13-3-5(4)11/h4-6,11-12H,1-3H2
InChIKeyWWMGMBOLBNSMMJ-UHFFFAOYSA-N
XLogP1.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol?
The IUPAC name of 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol (CID 83191548) is 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol.
What is the SMILES notation for 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol?
The canonical SMILES for 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol is OC1CSCC1CC(O)C(F)(F)F.
What is the InChIKey of 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol?
The InChIKey is WWMGMBOLBNSMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2S/c8-7(9,10)6(12)1-4-2-13-3-5(4)11/h4-6,11-12H,1-3H2.
What are the key properties of 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol?
4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol has a molecular weight of 216.22 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-2-hydroxypropyl)thiolan-3-ol is sourced from PubChem (CID 83191548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).