3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole

C3Cl2F2N2S — CID 139959855

IUPAC3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole
SMILESFc1nc(C(F)(Cl)Cl)ns1
InChIInChI=1S/C3Cl2F2N2S/c4-3(5,7)1-8-2(6)10-9-1
InChIKeyYTRQBDBPFDTCIK-UHFFFAOYSA-N
MW205.02 g/mol
LogP2.23
Rot. Bonds1

About 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole

3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole (PubChem CID 139959855) has the molecular formula C3Cl2F2N2S and a molecular weight of 205.02 g/mol. Its IUPAC name is 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole
PubChem CID139959855
Molecular FormulaC3Cl2F2N2S
Molecular Weight205.02 g/mol
Exact Mass203.91
IUPAC Name3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole
SMILESFc1nc(C(F)(Cl)Cl)ns1
InChIInChI=1S/C3Cl2F2N2S/c4-3(5,7)1-8-2(6)10-9-1
InChIKeyYTRQBDBPFDTCIK-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.02
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole?
The IUPAC name of 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole (CID 139959855) is 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole.
What is the SMILES notation for 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole?
The canonical SMILES for 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole is Fc1nc(C(F)(Cl)Cl)ns1.
What is the InChIKey of 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole?
The InChIKey is YTRQBDBPFDTCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F2N2S/c4-3(5,7)1-8-2(6)10-9-1.
What are the key properties of 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole?
3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole has a molecular weight of 205.02 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro(fluoro)methyl]-5-fluoro-1,2,4-thiadiazole is sourced from PubChem (CID 139959855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).