(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol

C9H11F3N2O2S — CID 99792966

IUPAC(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CSCc1nc(C2CC2)no1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)6(15)3-17-4-7-13-8(14-16-7)5-1-2-5/h5-6,15H,1-4H2/t6-/m0/s1
InChIKeyVSIAZUBWRKXPHM-LURJTMIESA-N
MW268.26 g/mol
LogP2.10
Rot. Bonds5

About (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol

(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 99792966) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
PubChem CID99792966
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CSCc1nc(C2CC2)no1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-9(11,12)6(15)3-17-4-7-13-8(14-16-7)5-1-2-5/h5-6,15H,1-4H2/t6-/m0/s1
InChIKeyVSIAZUBWRKXPHM-LURJTMIESA-N
XLogP2.10
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol (CID 99792966) is (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol is O[C@@H](CSCc1nc(C2CC2)no1)C(F)(F)F.
What is the InChIKey of (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VSIAZUBWRKXPHM-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c10-9(11,12)6(15)3-17-4-7-13-8(14-16-7)5-1-2-5/h5-6,15H,1-4H2/t6-/m0/s1.
What are the key properties of (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol?
(2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 268.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 99792966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).