chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane

C7H12ClFN2S — CID 164872103

IUPACchloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane
SMILESCS(C)(Cl)c1cnn(CCF)c1
InChIInChI=1S/C7H12ClFN2S/c1-12(2,8)7-5-10-11(6-7)4-3-9/h5-6H,3-4H2,1-2H3
InChIKeyQVNUGZNRTBINMH-UHFFFAOYSA-N
MW210.71 g/mol
LogP2.43
Rot. Bonds3

About chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane

chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane (PubChem CID 164872103) has the molecular formula C7H12ClFN2S and a molecular weight of 210.71 g/mol. Its IUPAC name is chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane.

Molecular Properties

Compound Namechloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane
PubChem CID164872103
Molecular FormulaC7H12ClFN2S
Molecular Weight210.71 g/mol
Exact Mass210.04
IUPAC Namechloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane
SMILESCS(C)(Cl)c1cnn(CCF)c1
InChIInChI=1S/C7H12ClFN2S/c1-12(2,8)7-5-10-11(6-7)4-3-9/h5-6H,3-4H2,1-2H3
InChIKeyQVNUGZNRTBINMH-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane?
The IUPAC name of chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane (CID 164872103) is chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane.
What is the SMILES notation for chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane?
The canonical SMILES for chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane is CS(C)(Cl)c1cnn(CCF)c1.
What is the InChIKey of chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane?
The InChIKey is QVNUGZNRTBINMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFN2S/c1-12(2,8)7-5-10-11(6-7)4-3-9/h5-6H,3-4H2,1-2H3.
What are the key properties of chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane?
chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane has a molecular weight of 210.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[1-(2-fluoroethyl)pyrazol-4-yl]-dimethyl-λ4-sulfane is sourced from PubChem (CID 164872103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).