1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane

C4H4F6S — CID 15655246

IUPAC1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane
SMILESCSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6S/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyQDMQEFRIDSEZHC-UHFFFAOYSA-N
MW198.13 g/mol
LogP2.84
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane

1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane (PubChem CID 15655246) has the molecular formula C4H4F6S and a molecular weight of 198.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane
PubChem CID15655246
Molecular FormulaC4H4F6S
Molecular Weight198.13 g/mol
Exact Mass197.99
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane
SMILESCSC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6S/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3
InChIKeyQDMQEFRIDSEZHC-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane 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 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane (CID 15655246) is 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane is CSC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane?
The InChIKey is QDMQEFRIDSEZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6S/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane?
1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane has a molecular weight of 198.13 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methylsulfanylpropane is sourced from PubChem (CID 15655246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).