3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine

C11H8Cl3FN2S — CID 140996382

IUPAC3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1ccc(F)c(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C11H8Cl3FN2S/c1-6-5-17(10(16)18-6)7-2-3-9(15)8(4-7)11(12,13)14/h2-5,16H,1H3/b16-10-
InChIKeyPZJLYIPLNXIUPO-YBEGLDIGSA-N
MW325.62 g/mol
LogP4.29
Rot. Bonds1

About 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine

3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine (PubChem CID 140996382) has the molecular formula C11H8Cl3FN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine
PubChem CID140996382
Molecular FormulaC11H8Cl3FN2S
Molecular Weight325.62 g/mol
Exact Mass323.95
IUPAC Name3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine
SMILES[H]/N=c1\sc(C)cn1-c1ccc(F)c(C(Cl)(Cl)Cl)c1
InChIInChI=1S/C11H8Cl3FN2S/c1-6-5-17(10(16)18-6)7-2-3-9(15)8(4-7)11(12,13)14/h2-5,16H,1H3/b16-10-
InChIKeyPZJLYIPLNXIUPO-YBEGLDIGSA-N
XLogP4.29
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine?
The IUPAC name of 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine (CID 140996382) is 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine?
The canonical SMILES for 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine is [H]/N=c1\sc(C)cn1-c1ccc(F)c(C(Cl)(Cl)Cl)c1.
What is the InChIKey of 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine?
The InChIKey is PZJLYIPLNXIUPO-YBEGLDIGSA-N. The full InChI is InChI=1S/C11H8Cl3FN2S/c1-6-5-17(10(16)18-6)7-2-3-9(15)8(4-7)11(12,13)14/h2-5,16H,1H3/b16-10-.
What are the key properties of 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine?
3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine has a molecular weight of 325.62 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trichloromethyl)phenyl]-5-methyl-1,3-thiazol-2-imine is sourced from PubChem (CID 140996382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).