ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane

C10H19F3N2S — CID 177135707

IUPACethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane
SMILESCC.CCS(C)(C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C8H13F3N2S.C2H6/c1-4-14(2,3)7-5-12-13(6-7)8(9,10)11;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyJCORMTHWIBYUCG-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.83
Rot. Bonds2

About ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane

ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane (PubChem CID 177135707) has the molecular formula C10H19F3N2S and a molecular weight of 256.34 g/mol. Its IUPAC name is ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane.

Molecular Properties

Compound Nameethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane
PubChem CID177135707
Molecular FormulaC10H19F3N2S
Molecular Weight256.34 g/mol
Exact Mass256.12
IUPAC Nameethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane
SMILESCC.CCS(C)(C)c1cnn(C(F)(F)F)c1
InChIInChI=1S/C8H13F3N2S.C2H6/c1-4-14(2,3)7-5-12-13(6-7)8(9,10)11;1-2/h5-6H,4H2,1-3H3;1-2H3
InChIKeyJCORMTHWIBYUCG-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane?
The IUPAC name of ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane (CID 177135707) is ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane.
What is the SMILES notation for ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane?
The canonical SMILES for ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane is CC.CCS(C)(C)c1cnn(C(F)(F)F)c1.
What is the InChIKey of ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane?
The InChIKey is JCORMTHWIBYUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2S.C2H6/c1-4-14(2,3)7-5-12-13(6-7)8(9,10)11;1-2/h5-6H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane?
ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane has a molecular weight of 256.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl-dimethyl-[1-(trifluoromethyl)pyrazol-4-yl]-λ4-sulfane is sourced from PubChem (CID 177135707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).