1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane

C5H4F6N2S — CID 175373144

IUPAC1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane
SMILESFC(F)(F)SC(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2F6S/c1-2-4-5-3-1;3-1(4,5)9-2(6,7)8/h1-3H,(H,4,5);
InChIKeyATSQCMNTXYDKIC-UHFFFAOYSA-N
MW238.16 g/mol
LogP3.17
Rot. Bonds

About 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane

1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane (PubChem CID 175373144) has the molecular formula C5H4F6N2S and a molecular weight of 238.16 g/mol. Its IUPAC name is 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane.

Molecular Properties

Compound Name1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane
PubChem CID175373144
Molecular FormulaC5H4F6N2S
Molecular Weight238.16 g/mol
Exact Mass238.00
IUPAC Name1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane
SMILESFC(F)(F)SC(F)(F)F.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2F6S/c1-2-4-5-3-1;3-1(4,5)9-2(6,7)8/h1-3H,(H,4,5);
InChIKeyATSQCMNTXYDKIC-UHFFFAOYSA-N
XLogP3.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane?
The IUPAC name of 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane (CID 175373144) is 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane.
What is the SMILES notation for 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane?
The canonical SMILES for 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane is FC(F)(F)SC(F)(F)F.c1cn[nH]c1.
What is the InChIKey of 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane?
The InChIKey is ATSQCMNTXYDKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2F6S/c1-2-4-5-3-1;3-1(4,5)9-2(6,7)8/h1-3H,(H,4,5);.
What are the key properties of 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane?
1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane has a molecular weight of 238.16 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole;trifluoro(trifluoromethylsulfanyl)methane is sourced from PubChem (CID 175373144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).