difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane

C6H2F14O2S — CID 12797939

IUPACdifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane
SMILESFC(F)(F)C(OS(F)(F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F14O2S/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyMFVLARVSUGEFMF-UHFFFAOYSA-N
MW404.12 g/mol
LogP5.41
Rot. Bonds4

About difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane

difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane (PubChem CID 12797939) has the molecular formula C6H2F14O2S and a molecular weight of 404.12 g/mol. Its IUPAC name is difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane.

Molecular Properties

Compound Namedifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane
PubChem CID12797939
Molecular FormulaC6H2F14O2S
Molecular Weight404.12 g/mol
Exact Mass403.96
IUPAC Namedifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane
SMILESFC(F)(F)C(OS(F)(F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F14O2S/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyMFVLARVSUGEFMF-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.12
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane 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 difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane?
The IUPAC name of difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane (CID 12797939) is difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane.
What is the SMILES notation for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane?
The canonical SMILES for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane is FC(F)(F)C(OS(F)(F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane?
The InChIKey is MFVLARVSUGEFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F14O2S/c7-3(8,9)1(4(10,11)12)21-23(19,20)22-2(5(13,14)15)6(16,17)18/h1-2H.
What are the key properties of difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane?
difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane has a molecular weight of 404.12 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-lambda4-sulfane is sourced from PubChem (CID 12797939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).