2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

C9H4ClF3N2S — CID 14091165

IUPAC2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccccc1-c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF3N2S/c10-8-15-14-7(16-8)5-3-1-2-4-6(5)9(11,12)13/h1-4H
InChIKeyHCMVXWKAFWVLOY-UHFFFAOYSA-N
MW264.66 g/mol
LogP3.88
Rot. Bonds1

About 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole

2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (PubChem CID 14091165) has the molecular formula C9H4ClF3N2S and a molecular weight of 264.66 g/mol. Its IUPAC name is 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
PubChem CID14091165
Molecular FormulaC9H4ClF3N2S
Molecular Weight264.66 g/mol
Exact Mass263.97
IUPAC Name2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole
SMILESFC(F)(F)c1ccccc1-c1nnc(Cl)s1
InChIInChI=1S/C9H4ClF3N2S/c10-8-15-14-7(16-8)5-3-1-2-4-6(5)9(11,12)13/h1-4H
InChIKeyHCMVXWKAFWVLOY-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole (CID 14091165) is 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is FC(F)(F)c1ccccc1-c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
The InChIKey is HCMVXWKAFWVLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2S/c10-8-15-14-7(16-8)5-3-1-2-4-6(5)9(11,12)13/h1-4H.
What are the key properties of 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole?
2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole has a molecular weight of 264.66 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(trifluoromethyl)phenyl]-1,3,4-thiadiazole is sourced from PubChem (CID 14091165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).