4-[(2,4-difluorophenoxy)methyl]thiadiazole

C9H6F2N2OS — CID 70157764

IUPAC4-[(2,4-difluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2csnn2)c(F)c1
InChIInChI=1S/C9H6F2N2OS/c10-6-1-2-9(8(11)3-6)14-4-7-5-15-13-12-7/h1-3,5H,4H2
InChIKeyLUQDBAAZXKIKOK-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.40
Rot. Bonds3

About 4-[(2,4-difluorophenoxy)methyl]thiadiazole

4-[(2,4-difluorophenoxy)methyl]thiadiazole (PubChem CID 70157764) has the molecular formula C9H6F2N2OS and a molecular weight of 228.22 g/mol. Its IUPAC name is 4-[(2,4-difluorophenoxy)methyl]thiadiazole.

Molecular Properties

Compound Name4-[(2,4-difluorophenoxy)methyl]thiadiazole
PubChem CID70157764
Molecular FormulaC9H6F2N2OS
Molecular Weight228.22 g/mol
Exact Mass228.02
IUPAC Name4-[(2,4-difluorophenoxy)methyl]thiadiazole
SMILESFc1ccc(OCc2csnn2)c(F)c1
InChIInChI=1S/C9H6F2N2OS/c10-6-1-2-9(8(11)3-6)14-4-7-5-15-13-12-7/h1-3,5H,4H2
InChIKeyLUQDBAAZXKIKOK-UHFFFAOYSA-N
XLogP2.40
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenoxy)methyl]thiadiazole?
The IUPAC name of 4-[(2,4-difluorophenoxy)methyl]thiadiazole (CID 70157764) is 4-[(2,4-difluorophenoxy)methyl]thiadiazole.
What is the SMILES notation for 4-[(2,4-difluorophenoxy)methyl]thiadiazole?
The canonical SMILES for 4-[(2,4-difluorophenoxy)methyl]thiadiazole is Fc1ccc(OCc2csnn2)c(F)c1.
What is the InChIKey of 4-[(2,4-difluorophenoxy)methyl]thiadiazole?
The InChIKey is LUQDBAAZXKIKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2OS/c10-6-1-2-9(8(11)3-6)14-4-7-5-15-13-12-7/h1-3,5H,4H2.
What are the key properties of 4-[(2,4-difluorophenoxy)methyl]thiadiazole?
4-[(2,4-difluorophenoxy)methyl]thiadiazole has a molecular weight of 228.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenoxy)methyl]thiadiazole is sourced from PubChem (CID 70157764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).