difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane

C6H2F14S — CID 134881858

IUPACdifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane
SMILESFC(F)(F)C(C(F)(F)F)S(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F14S/c7-3(8,9)1(4(10,11)12)21(19,20)2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyHKRJREKORJWKGJ-UHFFFAOYSA-N
MW372.12 g/mol
LogP5.55
Rot. Bonds2

About difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane

difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane (PubChem CID 134881858) has the molecular formula C6H2F14S and a molecular weight of 372.12 g/mol. Its IUPAC name is difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane
PubChem CID134881858
Molecular FormulaC6H2F14S
Molecular Weight372.12 g/mol
Exact Mass371.97
IUPAC Namedifluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane
SMILESFC(F)(F)C(C(F)(F)F)S(F)(F)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H2F14S/c7-3(8,9)1(4(10,11)12)21(19,20)2(5(13,14)15)6(16,17)18/h1-2H
InChIKeyHKRJREKORJWKGJ-UHFFFAOYSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.12
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-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-yl)-λ4-sulfane?
The IUPAC name of difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane (CID 134881858) is difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane.
What is the SMILES notation for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane?
The canonical SMILES for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane is FC(F)(F)C(C(F)(F)F)S(F)(F)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane?
The InChIKey is HKRJREKORJWKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F14S/c7-3(8,9)1(4(10,11)12)21(19,20)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-yl)-λ4-sulfane?
difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane has a molecular weight of 372.12 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-bis(1,1,1,3,3,3-hexafluoropropan-2-yl)-λ4-sulfane is sourced from PubChem (CID 134881858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).