5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole

C4H2F4N2S — CID 67942865

IUPAC5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESFc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-3-2(1-9-10-3)11-4(6,7)8/h1H,(H,9,10)
InChIKeySIZCYNRLCQRAJT-UHFFFAOYSA-N
MW186.13 g/mol
LogP2.16
Rot. Bonds1

About 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole

5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole (PubChem CID 67942865) has the molecular formula C4H2F4N2S and a molecular weight of 186.13 g/mol. Its IUPAC name is 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole
PubChem CID67942865
Molecular FormulaC4H2F4N2S
Molecular Weight186.13 g/mol
Exact Mass185.99
IUPAC Name5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole
SMILESFc1[nH]ncc1SC(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-3-2(1-9-10-3)11-4(6,7)8/h1H,(H,9,10)
InChIKeySIZCYNRLCQRAJT-UHFFFAOYSA-N
XLogP2.16
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The IUPAC name of 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole (CID 67942865) is 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole.
What is the SMILES notation for 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The canonical SMILES for 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole is Fc1[nH]ncc1SC(F)(F)F.
What is the InChIKey of 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole?
The InChIKey is SIZCYNRLCQRAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N2S/c5-3-2(1-9-10-3)11-4(6,7)8/h1H,(H,9,10).
What are the key properties of 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole?
5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole has a molecular weight of 186.13 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(trifluoromethylsulfanyl)-1H-pyrazole is sourced from PubChem (CID 67942865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).