1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane

C6H10F2S — CID 123757298

IUPAC1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane
SMILESCSCC1CC(F)(F)C1
InChIInChI=1S/C6H10F2S/c1-9-4-5-2-6(7,8)3-5/h5H,2-4H2,1H3
InChIKeyNFFSUYMXMANHBU-UHFFFAOYSA-N
MW152.21 g/mol
LogP2.39
Rot. Bonds2

About 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane

1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane (PubChem CID 123757298) has the molecular formula C6H10F2S and a molecular weight of 152.21 g/mol. Its IUPAC name is 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane
PubChem CID123757298
Molecular FormulaC6H10F2S
Molecular Weight152.21 g/mol
Exact Mass152.05
IUPAC Name1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane
SMILESCSCC1CC(F)(F)C1
InChIInChI=1S/C6H10F2S/c1-9-4-5-2-6(7,8)3-5/h5H,2-4H2,1H3
InChIKeyNFFSUYMXMANHBU-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane 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-difluoro-3-(methylsulfanylmethyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane (CID 123757298) is 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane is CSCC1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane?
The InChIKey is NFFSUYMXMANHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2S/c1-9-4-5-2-6(7,8)3-5/h5H,2-4H2,1H3.
What are the key properties of 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane?
1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane has a molecular weight of 152.21 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(methylsulfanylmethyl)cyclobutane is sourced from PubChem (CID 123757298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).