5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole

C10H6ClF3N2OS — CID 43407938

IUPAC5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
SMILESFC(F)(F)c1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-2-6(4-7)10(12,13)14/h1-4H,5H2
InChIKeyIUKVAQJCVKHYKF-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.79
Rot. Bonds3

About 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole

5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole (PubChem CID 43407938) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
PubChem CID43407938
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
SMILESFC(F)(F)c1cccc(OCc2nnsc2Cl)c1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-2-6(4-7)10(12,13)14/h1-4H,5H2
InChIKeyIUKVAQJCVKHYKF-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole (CID 43407938) is 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole is FC(F)(F)c1cccc(OCc2nnsc2Cl)c1.
What is the InChIKey of 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The InChIKey is IUKVAQJCVKHYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-2-6(4-7)10(12,13)14/h1-4H,5H2.
What are the key properties of 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole?
5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole has a molecular weight of 294.69 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole is sourced from PubChem (CID 43407938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).