3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole

C5H5F3N2S — CID 91290793

IUPAC3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESFC(F)(F)CCc1ncsn1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)2-1-4-9-3-11-10-4/h3H,1-2H2
InChIKeyJFIPATUONBWGHK-UHFFFAOYSA-N
MW182.17 g/mol
LogP2.03
Rot. Bonds2

About 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole

3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (PubChem CID 91290793) has the molecular formula C5H5F3N2S and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
PubChem CID91290793
Molecular FormulaC5H5F3N2S
Molecular Weight182.17 g/mol
Exact Mass182.01
IUPAC Name3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
SMILESFC(F)(F)CCc1ncsn1
InChIInChI=1S/C5H5F3N2S/c6-5(7,8)2-1-4-9-3-11-10-4/h3H,1-2H2
InChIKeyJFIPATUONBWGHK-UHFFFAOYSA-N
XLogP2.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)-1,2,4-thiadiazole
CID 21298103
3-(Difluoromethyl)-1,2,4-thiadiazole
CID 135334488
5-(2,2,2-Trifluoroethyl)-1,2,4-thiadiazole
CID 173596685
5-Chloro-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 79964450
5-Iodo-3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole
CID 102618331
3-Ethyl-1,2,4-thiadiazole
CID 17845865
3-Propyl-1,2,4-thiadiazole
CID 17845902
3-Cyclopropyl-1,2,4-thiadiazole
CID 17845908
3-Propan-2-yl-1,2,4-thiadiazole
CID 17845921
3-Pentyl-1,2,4-thiadiazole
CID 54233965
3-Butyl-1,2,4-thiadiazole
CID 54453274
3-(2-Methylpropyl)-1,2,4-thiadiazole
CID 57116792

Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The IUPAC name of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole (CID 91290793) is 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is FC(F)(F)CCc1ncsn1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
The InChIKey is JFIPATUONBWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2S/c6-5(7,8)2-1-4-9-3-11-10-4/h3H,1-2H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole?
3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole has a molecular weight of 182.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole is sourced from PubChem (CID 91290793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).