1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane

C7H12F2S — CID 155139311

IUPAC1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane
SMILESCSCCC1CC(F)(F)C1
InChIInChI=1S/C7H12F2S/c1-10-3-2-6-4-7(8,9)5-6/h6H,2-5H2,1H3
InChIKeyUEWCCYXPSLHSIJ-UHFFFAOYSA-N
MW166.24 g/mol
LogP2.78
Rot. Bonds3

About 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane

1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane (PubChem CID 155139311) has the molecular formula C7H12F2S and a molecular weight of 166.24 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane
PubChem CID155139311
Molecular FormulaC7H12F2S
Molecular Weight166.24 g/mol
Exact Mass166.06
IUPAC Name1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane
SMILESCSCCC1CC(F)(F)C1
InChIInChI=1S/C7H12F2S/c1-10-3-2-6-4-7(8,9)5-6/h6H,2-5H2,1H3
InChIKeyUEWCCYXPSLHSIJ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane?
The IUPAC name of 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane (CID 155139311) is 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane.
What is the SMILES notation for 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane?
The canonical SMILES for 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane is CSCCC1CC(F)(F)C1.
What is the InChIKey of 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane?
The InChIKey is UEWCCYXPSLHSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2S/c1-10-3-2-6-4-7(8,9)5-6/h6H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane?
1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane has a molecular weight of 166.24 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylsulfanylethyl)cyclobutane is sourced from PubChem (CID 155139311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).