chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane

C6H12ClF3S — CID 139332506

IUPACchloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane
SMILESCC(CS(C)(C)Cl)C(F)(F)F
InChIInChI=1S/C6H12ClF3S/c1-5(6(8,9)10)4-11(2,3)7/h5H,4H2,1-3H3
InChIKeyAGNJULBCYAOQRC-UHFFFAOYSA-N
MW208.68 g/mol
LogP3.40
Rot. Bonds2

About chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane

chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane (PubChem CID 139332506) has the molecular formula C6H12ClF3S and a molecular weight of 208.68 g/mol. Its IUPAC name is chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane.

Molecular Properties

Compound Namechloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane
PubChem CID139332506
Molecular FormulaC6H12ClF3S
Molecular Weight208.68 g/mol
Exact Mass208.03
IUPAC Namechloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane
SMILESCC(CS(C)(C)Cl)C(F)(F)F
InChIInChI=1S/C6H12ClF3S/c1-5(6(8,9)10)4-11(2,3)7/h5H,4H2,1-3H3
InChIKeyAGNJULBCYAOQRC-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.68
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane?
The IUPAC name of chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane (CID 139332506) is chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane.
What is the SMILES notation for chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane?
The canonical SMILES for chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane is CC(CS(C)(C)Cl)C(F)(F)F.
What is the InChIKey of chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane?
The InChIKey is AGNJULBCYAOQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClF3S/c1-5(6(8,9)10)4-11(2,3)7/h5H,4H2,1-3H3.
What are the key properties of chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane?
chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane has a molecular weight of 208.68 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-(3,3,3-trifluoro-2-methylpropyl)-λ4-sulfane is sourced from PubChem (CID 139332506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).