2,2,4,4-tetrafluoro-3-methylthiolane

C5H6F4S — CID 66729864

IUPAC2,2,4,4-tetrafluoro-3-methylthiolane
SMILESCC1C(F)(F)CSC1(F)F
InChIInChI=1S/C5H6F4S/c1-3-4(6,7)2-10-5(3,8)9/h3H,2H2,1H3
InChIKeyFNLNJPCOKNHULQ-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.60
Rot. Bonds

About 2,2,4,4-tetrafluoro-3-methylthiolane

2,2,4,4-tetrafluoro-3-methylthiolane (PubChem CID 66729864) has the molecular formula C5H6F4S and a molecular weight of 174.16 g/mol. Its IUPAC name is 2,2,4,4-tetrafluoro-3-methylthiolane.

Molecular Properties

Compound Name2,2,4,4-tetrafluoro-3-methylthiolane
PubChem CID66729864
Molecular FormulaC5H6F4S
Molecular Weight174.16 g/mol
Exact Mass174.01
IUPAC Name2,2,4,4-tetrafluoro-3-methylthiolane
SMILESCC1C(F)(F)CSC1(F)F
InChIInChI=1S/C5H6F4S/c1-3-4(6,7)2-10-5(3,8)9/h3H,2H2,1H3
InChIKeyFNLNJPCOKNHULQ-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetrafluoro-3-methylthiolane?
The IUPAC name of 2,2,4,4-tetrafluoro-3-methylthiolane (CID 66729864) is 2,2,4,4-tetrafluoro-3-methylthiolane.
What is the SMILES notation for 2,2,4,4-tetrafluoro-3-methylthiolane?
The canonical SMILES for 2,2,4,4-tetrafluoro-3-methylthiolane is CC1C(F)(F)CSC1(F)F.
What is the InChIKey of 2,2,4,4-tetrafluoro-3-methylthiolane?
The InChIKey is FNLNJPCOKNHULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4S/c1-3-4(6,7)2-10-5(3,8)9/h3H,2H2,1H3.
What are the key properties of 2,2,4,4-tetrafluoro-3-methylthiolane?
2,2,4,4-tetrafluoro-3-methylthiolane has a molecular weight of 174.16 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetrafluoro-3-methylthiolane is sourced from PubChem (CID 66729864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).