1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol

C5H5F3N2OS — CID 130815303

IUPAC1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol
SMILESOC(Cc1cnsn1)C(F)(F)F
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)4(11)1-3-2-9-12-10-3/h2,4,11H,1H2
InChIKeyZSKSNOVFAPOKCN-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.00
Rot. Bonds2

About 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol

1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol (PubChem CID 130815303) has the molecular formula C5H5F3N2OS and a molecular weight of 198.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol
PubChem CID130815303
Molecular FormulaC5H5F3N2OS
Molecular Weight198.17 g/mol
Exact Mass198.01
IUPAC Name1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol
SMILESOC(Cc1cnsn1)C(F)(F)F
InChIInChI=1S/C5H5F3N2OS/c6-5(7,8)4(11)1-3-2-9-12-10-3/h2,4,11H,1H2
InChIKeyZSKSNOVFAPOKCN-UHFFFAOYSA-N
XLogP1.00
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol (CID 130815303) is 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol is OC(Cc1cnsn1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol?
The InChIKey is ZSKSNOVFAPOKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2OS/c6-5(7,8)4(11)1-3-2-9-12-10-3/h2,4,11H,1H2.
What are the key properties of 1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol?
1,1,1-trifluoro-3-(1,2,5-thiadiazol-3-yl)propan-2-ol has a molecular weight of 198.17 g/mol, XLogP of 1.00, 2 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-(1,2,5-thiadiazol-3-yl)propan-2-ol is sourced from PubChem (CID 130815303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).