1-fluoro-3-(methylsulfanylmethyl)cyclobutane

C6H11FS — CID 166684996

IUPAC1-fluoro-3-(methylsulfanylmethyl)cyclobutane
SMILESCSCC1CC(F)C1
InChIInChI=1S/C6H11FS/c1-8-4-5-2-6(7)3-5/h5-6H,2-4H2,1H3
InChIKeyCGMVNQBVNOBZNS-UHFFFAOYSA-N
MW134.22 g/mol
LogP2.10
Rot. Bonds2

About 1-fluoro-3-(methylsulfanylmethyl)cyclobutane

1-fluoro-3-(methylsulfanylmethyl)cyclobutane (PubChem CID 166684996) has the molecular formula C6H11FS and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-fluoro-3-(methylsulfanylmethyl)cyclobutane.

Molecular Properties

Compound Name1-fluoro-3-(methylsulfanylmethyl)cyclobutane
PubChem CID166684996
Molecular FormulaC6H11FS
Molecular Weight134.22 g/mol
Exact Mass134.06
IUPAC Name1-fluoro-3-(methylsulfanylmethyl)cyclobutane
SMILESCSCC1CC(F)C1
InChIInChI=1S/C6H11FS/c1-8-4-5-2-6(7)3-5/h5-6H,2-4H2,1H3
InChIKeyCGMVNQBVNOBZNS-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(methylsulfanylmethyl)cyclobutane?
The IUPAC name of 1-fluoro-3-(methylsulfanylmethyl)cyclobutane (CID 166684996) is 1-fluoro-3-(methylsulfanylmethyl)cyclobutane.
What is the SMILES notation for 1-fluoro-3-(methylsulfanylmethyl)cyclobutane?
The canonical SMILES for 1-fluoro-3-(methylsulfanylmethyl)cyclobutane is CSCC1CC(F)C1.
What is the InChIKey of 1-fluoro-3-(methylsulfanylmethyl)cyclobutane?
The InChIKey is CGMVNQBVNOBZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FS/c1-8-4-5-2-6(7)3-5/h5-6H,2-4H2,1H3.
What are the key properties of 1-fluoro-3-(methylsulfanylmethyl)cyclobutane?
1-fluoro-3-(methylsulfanylmethyl)cyclobutane has a molecular weight of 134.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(methylsulfanylmethyl)cyclobutane is sourced from PubChem (CID 166684996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).