4-fluoro-2-methylthiolane

C5H9FS — CID 66729895

IUPAC4-fluoro-2-methylthiolane
SMILESCC1CC(F)CS1
InChIInChI=1S/C5H9FS/c1-4-2-5(6)3-7-4/h4-5H,2-3H2,1H3
InChIKeyZZLAUFVWLCBOSA-UHFFFAOYSA-N
MW120.19 g/mol
LogP1.85
Rot. Bonds

About 4-fluoro-2-methylthiolane

4-fluoro-2-methylthiolane (PubChem CID 66729895) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is 4-fluoro-2-methylthiolane.

Molecular Properties

Compound Name4-fluoro-2-methylthiolane
PubChem CID66729895
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name4-fluoro-2-methylthiolane
SMILESCC1CC(F)CS1
InChIInChI=1S/C5H9FS/c1-4-2-5(6)3-7-4/h4-5H,2-3H2,1H3
InChIKeyZZLAUFVWLCBOSA-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylthiolane?
The IUPAC name of 4-fluoro-2-methylthiolane (CID 66729895) is 4-fluoro-2-methylthiolane.
What is the SMILES notation for 4-fluoro-2-methylthiolane?
The canonical SMILES for 4-fluoro-2-methylthiolane is CC1CC(F)CS1.
What is the InChIKey of 4-fluoro-2-methylthiolane?
The InChIKey is ZZLAUFVWLCBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c1-4-2-5(6)3-7-4/h4-5H,2-3H2,1H3.
What are the key properties of 4-fluoro-2-methylthiolane?
4-fluoro-2-methylthiolane has a molecular weight of 120.19 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylthiolane is sourced from PubChem (CID 66729895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).