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

C8H3ClF2N2OS — CID 61038458

IUPAC3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
SMILESFc1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C8H3ClF2N2OS/c9-7-8(13-15-12-7)14-6-2-1-4(10)3-5(6)11/h1-3H
InChIKeyVBNPNRHGMZINJB-UHFFFAOYSA-N
MW248.64 g/mol
LogP3.26
Rot. Bonds2

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

3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole (PubChem CID 61038458) has the molecular formula C8H3ClF2N2OS and a molecular weight of 248.64 g/mol. Its IUPAC name is 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
PubChem CID61038458
Molecular FormulaC8H3ClF2N2OS
Molecular Weight248.64 g/mol
Exact Mass247.96
IUPAC Name3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole
SMILESFc1ccc(Oc2nsnc2Cl)c(F)c1
InChIInChI=1S/C8H3ClF2N2OS/c9-7-8(13-15-12-7)14-6-2-1-4(10)3-5(6)11/h1-3H
InChIKeyVBNPNRHGMZINJB-UHFFFAOYSA-N
XLogP3.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.64
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole (CID 61038458) is 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole is Fc1ccc(Oc2nsnc2Cl)c(F)c1.
What is the InChIKey of 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole?
The InChIKey is VBNPNRHGMZINJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClF2N2OS/c9-7-8(13-15-12-7)14-6-2-1-4(10)3-5(6)11/h1-3H.
What are the key properties of 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole?
3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole has a molecular weight of 248.64 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,4-difluorophenoxy)-1,2,5-thiadiazole is sourced from PubChem (CID 61038458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).