2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane

C7H10F6S2 — CID 12567447

IUPAC2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane
SMILESCCSC(SCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6S2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyHKRZUCNCYUJHBY-UHFFFAOYSA-N
MW272.28 g/mol
LogP4.31
Rot. Bonds4

About 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane

2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane (PubChem CID 12567447) has the molecular formula C7H10F6S2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane
PubChem CID12567447
Molecular FormulaC7H10F6S2
Molecular Weight272.28 g/mol
Exact Mass272.01
IUPAC Name2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane
SMILESCCSC(SCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6S2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyHKRZUCNCYUJHBY-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane (CID 12567447) is 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane is CCSC(SCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is HKRZUCNCYUJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6S2/c1-3-14-5(15-4-2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane?
2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 272.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(ethylsulfanyl)-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 12567447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).