thiophene;1-(trifluoromethyl)pyrazole

C8H7F3N2S — CID 158116758

IUPACthiophene;1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cccn1.c1ccsc1
InChIInChI=1S/C4H3F3N2.C4H4S/c5-4(6,7)9-3-1-2-8-9;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyFRCIWAKVIQMTRM-UHFFFAOYSA-N
MW220.22 g/mol
LogP3.11
Rot. Bonds

About thiophene;1-(trifluoromethyl)pyrazole

thiophene;1-(trifluoromethyl)pyrazole (PubChem CID 158116758) has the molecular formula C8H7F3N2S and a molecular weight of 220.22 g/mol. Its IUPAC name is thiophene;1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Namethiophene;1-(trifluoromethyl)pyrazole
PubChem CID158116758
Molecular FormulaC8H7F3N2S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Namethiophene;1-(trifluoromethyl)pyrazole
SMILESFC(F)(F)n1cccn1.c1ccsc1
InChIInChI=1S/C4H3F3N2.C4H4S/c5-4(6,7)9-3-1-2-8-9;1-2-4-5-3-1/h1-3H;1-4H
InChIKeyFRCIWAKVIQMTRM-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of thiophene;1-(trifluoromethyl)pyrazole?
The IUPAC name of thiophene;1-(trifluoromethyl)pyrazole (CID 158116758) is thiophene;1-(trifluoromethyl)pyrazole.
What is the SMILES notation for thiophene;1-(trifluoromethyl)pyrazole?
The canonical SMILES for thiophene;1-(trifluoromethyl)pyrazole is FC(F)(F)n1cccn1.c1ccsc1.
What is the InChIKey of thiophene;1-(trifluoromethyl)pyrazole?
The InChIKey is FRCIWAKVIQMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2.C4H4S/c5-4(6,7)9-3-1-2-8-9;1-2-4-5-3-1/h1-3H;1-4H.
What are the key properties of thiophene;1-(trifluoromethyl)pyrazole?
thiophene;1-(trifluoromethyl)pyrazole has a molecular weight of 220.22 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 158116758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).