dimethyl-bis(trifluoromethyl)-λ4-sulfane

C4H6F6S — CID 58763512

IUPACdimethyl-bis(trifluoromethyl)-λ4-sulfane
SMILESCS(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6S/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3
InChIKeyDLGCMDBEFZSZTO-UHFFFAOYSA-N
MW200.15 g/mol
LogP3.09
Rot. Bonds

About dimethyl-bis(trifluoromethyl)-λ4-sulfane

dimethyl-bis(trifluoromethyl)-λ4-sulfane (PubChem CID 58763512) has the molecular formula C4H6F6S and a molecular weight of 200.15 g/mol. Its IUPAC name is dimethyl-bis(trifluoromethyl)-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-bis(trifluoromethyl)-λ4-sulfane
PubChem CID58763512
Molecular FormulaC4H6F6S
Molecular Weight200.15 g/mol
Exact Mass200.01
IUPAC Namedimethyl-bis(trifluoromethyl)-λ4-sulfane
SMILESCS(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6F6S/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3
InChIKeyDLGCMDBEFZSZTO-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(trifluoromethyl)-λ4-sulfane?
The IUPAC name of dimethyl-bis(trifluoromethyl)-λ4-sulfane (CID 58763512) is dimethyl-bis(trifluoromethyl)-λ4-sulfane.
What is the SMILES notation for dimethyl-bis(trifluoromethyl)-λ4-sulfane?
The canonical SMILES for dimethyl-bis(trifluoromethyl)-λ4-sulfane is CS(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of dimethyl-bis(trifluoromethyl)-λ4-sulfane?
The InChIKey is DLGCMDBEFZSZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F6S/c1-11(2,3(5,6)7)4(8,9)10/h1-2H3.
What are the key properties of dimethyl-bis(trifluoromethyl)-λ4-sulfane?
dimethyl-bis(trifluoromethyl)-λ4-sulfane has a molecular weight of 200.15 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(trifluoromethyl)-λ4-sulfane is sourced from PubChem (CID 58763512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).