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

C10H6ClF3N2OS — CID 43408003

IUPAC5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole
SMILESFC(F)(F)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-6(2-4-7)10(12,13)14/h1-4H,5H2
InChIKeyJXXHUIPJOSTFOX-UHFFFAOYSA-N
MW294.69 g/mol
LogP3.79
Rot. Bonds3

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

5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole (PubChem CID 43408003) has the molecular formula C10H6ClF3N2OS and a molecular weight of 294.69 g/mol. Its IUPAC name is 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole
PubChem CID43408003
Molecular FormulaC10H6ClF3N2OS
Molecular Weight294.69 g/mol
Exact Mass293.98
IUPAC Name5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole
SMILESFC(F)(F)c1ccc(OCc2nnsc2Cl)cc1
InChIInChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-6(2-4-7)10(12,13)14/h1-4H,5H2
InChIKeyJXXHUIPJOSTFOX-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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Related Compounds

4-[(5-Chloro-1,2,3-thiadiazol-4-yl)methoxy]-benzenecarbaldehyde
CID 2764040
4-[(4-Tert-butyl-3-fluorophenoxy)methyl]-5-chlorothiadiazole
CID 170931541
5-Chloro-4-[(3-fluoro-4-propan-2-ylphenoxy)methyl]thiadiazole
CID 174271625
5-Chloro-4-[(3-fluorophenoxy)methyl]thiadiazole
CID 43407909
5-Chloro-4-[(2-fluorophenoxy)methyl]thiadiazole
CID 43407910
5-Chloro-4-[(4-fluorophenoxy)methyl]thiadiazole
CID 43407919
5-Chloro-4-[[3-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43407938
5-Chloro-4-[(3,4-difluorophenoxy)methyl]thiadiazole
CID 43408001
5-Chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]thiadiazole
CID 43409194
5-Chloro-4-[(2,4-difluorophenoxy)methyl]-1,2,3-thiadiazole
CID 43423798
5-Chloro-4-[(2,3,4,5,6-pentafluorophenoxy)methyl]thiadiazole
CID 43625664
2-[(5-Chlorothiadiazol-4-yl)methoxy]-6-fluorobenzonitrile
CID 43625665

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole (CID 43408003) is 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole is FC(F)(F)c1ccc(OCc2nnsc2Cl)cc1.
What is the InChIKey of 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole?
The InChIKey is JXXHUIPJOSTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2OS/c11-9-8(15-16-18-9)5-17-7-3-1-6(2-4-7)10(12,13)14/h1-4H,5H2.
What are the key properties of 5-chloro-4-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole?
5-chloro-4-[[4-(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-[[4-(trifluoromethyl)phenoxy]methyl]thiadiazole is sourced from PubChem (CID 43408003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).