2,2-difluoro-3-methyl-1-methylsulfanylbutane

C6H12F2S — CID 123661526

IUPAC2,2-difluoro-3-methyl-1-methylsulfanylbutane
SMILESCSCC(F)(F)C(C)C
InChIInChI=1S/C6H12F2S/c1-5(2)6(7,8)4-9-3/h5H,4H2,1-3H3
InChIKeyGFOMNTXOYAMSCS-UHFFFAOYSA-N
MW154.22 g/mol
LogP2.64
Rot. Bonds3

About 2,2-difluoro-3-methyl-1-methylsulfanylbutane

2,2-difluoro-3-methyl-1-methylsulfanylbutane (PubChem CID 123661526) has the molecular formula C6H12F2S and a molecular weight of 154.22 g/mol. Its IUPAC name is 2,2-difluoro-3-methyl-1-methylsulfanylbutane.

Molecular Properties

Compound Name2,2-difluoro-3-methyl-1-methylsulfanylbutane
PubChem CID123661526
Molecular FormulaC6H12F2S
Molecular Weight154.22 g/mol
Exact Mass154.06
IUPAC Name2,2-difluoro-3-methyl-1-methylsulfanylbutane
SMILESCSCC(F)(F)C(C)C
InChIInChI=1S/C6H12F2S/c1-5(2)6(7,8)4-9-3/h5H,4H2,1-3H3
InChIKeyGFOMNTXOYAMSCS-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-methyl-1-methylsulfanylbutane 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-difluoro-3-methyl-1-methylsulfanylbutane?
The IUPAC name of 2,2-difluoro-3-methyl-1-methylsulfanylbutane (CID 123661526) is 2,2-difluoro-3-methyl-1-methylsulfanylbutane.
What is the SMILES notation for 2,2-difluoro-3-methyl-1-methylsulfanylbutane?
The canonical SMILES for 2,2-difluoro-3-methyl-1-methylsulfanylbutane is CSCC(F)(F)C(C)C.
What is the InChIKey of 2,2-difluoro-3-methyl-1-methylsulfanylbutane?
The InChIKey is GFOMNTXOYAMSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2S/c1-5(2)6(7,8)4-9-3/h5H,4H2,1-3H3.
What are the key properties of 2,2-difluoro-3-methyl-1-methylsulfanylbutane?
2,2-difluoro-3-methyl-1-methylsulfanylbutane has a molecular weight of 154.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methyl-1-methylsulfanylbutane is sourced from PubChem (CID 123661526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).