3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole

C5H3ClF4N2OS — CID 43808080

IUPAC3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole
SMILESFC(F)C(F)(F)COc1nsnc1Cl
InChIInChI=1S/C5H3ClF4N2OS/c6-2-3(12-14-11-2)13-1-5(9,10)4(7)8/h4H,1H2
InChIKeyNOOCFZYEUPZBTQ-UHFFFAOYSA-N
MW250.60 g/mol
LogP2.47
Rot. Bonds4

About 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole

3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole (PubChem CID 43808080) has the molecular formula C5H3ClF4N2OS and a molecular weight of 250.60 g/mol. Its IUPAC name is 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole
PubChem CID43808080
Molecular FormulaC5H3ClF4N2OS
Molecular Weight250.60 g/mol
Exact Mass249.96
IUPAC Name3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole
SMILESFC(F)C(F)(F)COc1nsnc1Cl
InChIInChI=1S/C5H3ClF4N2OS/c6-2-3(12-14-11-2)13-1-5(9,10)4(7)8/h4H,1H2
InChIKeyNOOCFZYEUPZBTQ-UHFFFAOYSA-N
XLogP2.47
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.60
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole (CID 43808080) is 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole is FC(F)C(F)(F)COc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole?
The InChIKey is NOOCFZYEUPZBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClF4N2OS/c6-2-3(12-14-11-2)13-1-5(9,10)4(7)8/h4H,1H2.
What are the key properties of 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole has a molecular weight of 250.60 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2,3,3-tetrafluoropropoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 43808080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).