6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

C8H6F3N3S — CID 169117393

IUPAC6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(F)c(C(F)F)cn2n1
InChIInChI=1S/C8H6F3N3S/c1-15-8-12-2-5-6(9)4(7(10)11)3-14(5)13-8/h2-3,7H,1H3
InChIKeyHKHSGOGXUYUCNG-UHFFFAOYSA-N
MW233.22 g/mol
LogP2.53
Rot. Bonds2

About 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine

6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (PubChem CID 169117393) has the molecular formula C8H6F3N3S and a molecular weight of 233.22 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
PubChem CID169117393
Molecular FormulaC8H6F3N3S
Molecular Weight233.22 g/mol
Exact Mass233.02
IUPAC Name6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
SMILESCSc1ncc2c(F)c(C(F)F)cn2n1
InChIInChI=1S/C8H6F3N3S/c1-15-8-12-2-5-6(9)4(7(10)11)3-14(5)13-8/h2-3,7H,1H3
InChIKeyHKHSGOGXUYUCNG-UHFFFAOYSA-N
XLogP2.53
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine (CID 169117393) is 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is CSc1ncc2c(F)c(C(F)F)cn2n1.
What is the InChIKey of 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is HKHSGOGXUYUCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3S/c1-15-8-12-2-5-6(9)4(7(10)11)3-14(5)13-8/h2-3,7H,1H3.
What are the key properties of 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine?
6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 233.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-fluoro-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 169117393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).