5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine

C5H2ClF3N2S — CID 19996633

IUPAC5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine
SMILESFc1nc(F)c(SCCl)c(F)n1
InChIInChI=1S/C5H2ClF3N2S/c6-1-12-2-3(7)10-5(9)11-4(2)8/h1H2
InChIKeyTYOVFGGFAHEWOI-UHFFFAOYSA-N
MW214.60 g/mol
LogP2.18
Rot. Bonds2

About 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine

5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine (PubChem CID 19996633) has the molecular formula C5H2ClF3N2S and a molecular weight of 214.60 g/mol. Its IUPAC name is 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine.

Molecular Properties

Compound Name5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine
PubChem CID19996633
Molecular FormulaC5H2ClF3N2S
Molecular Weight214.60 g/mol
Exact Mass213.96
IUPAC Name5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine
SMILESFc1nc(F)c(SCCl)c(F)n1
InChIInChI=1S/C5H2ClF3N2S/c6-1-12-2-3(7)10-5(9)11-4(2)8/h1H2
InChIKeyTYOVFGGFAHEWOI-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.60
LogP ≤ 52.18
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 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine?
The IUPAC name of 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine (CID 19996633) is 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine.
What is the SMILES notation for 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine?
The canonical SMILES for 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine is Fc1nc(F)c(SCCl)c(F)n1.
What is the InChIKey of 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine?
The InChIKey is TYOVFGGFAHEWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClF3N2S/c6-1-12-2-3(7)10-5(9)11-4(2)8/h1H2.
What are the key properties of 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine?
5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine has a molecular weight of 214.60 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylsulfanyl)-2,4,6-trifluoropyrimidine is sourced from PubChem (CID 19996633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).