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

C4H3ClF2N2OS — CID 82004463

IUPAC3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
SMILESFC(F)COc1nsnc1Cl
InChIInChI=1S/C4H3ClF2N2OS/c5-3-4(9-11-8-3)10-1-2(6)7/h2H,1H2
InChIKeyHSXMARQKNPCLKB-UHFFFAOYSA-N
MW200.60 g/mol
LogP1.84
Rot. Bonds3

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

3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole (PubChem CID 82004463) has the molecular formula C4H3ClF2N2OS and a molecular weight of 200.60 g/mol. Its IUPAC name is 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
PubChem CID82004463
Molecular FormulaC4H3ClF2N2OS
Molecular Weight200.60 g/mol
Exact Mass199.96
IUPAC Name3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole
SMILESFC(F)COc1nsnc1Cl
InChIInChI=1S/C4H3ClF2N2OS/c5-3-4(9-11-8-3)10-1-2(6)7/h2H,1H2
InChIKeyHSXMARQKNPCLKB-UHFFFAOYSA-N
XLogP1.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.60
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole (CID 82004463) is 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole is FC(F)COc1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole?
The InChIKey is HSXMARQKNPCLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N2OS/c5-3-4(9-11-8-3)10-1-2(6)7/h2H,1H2.
What are the key properties of 3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,2-difluoroethoxy)-1,2,5-thiadiazole has a molecular weight of 200.60 g/mol, XLogP of 1.84, 3 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-difluoroethoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 82004463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).