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

C5H6F4S — CID 87128421

IUPAC2,3,3,4-tetrafluoro-4-methylthiolane
SMILESCC1(F)CSC(F)C1(F)F
InChIInChI=1S/C5H6F4S/c1-4(7)2-10-3(6)5(4,8)9/h3H,2H2,1H3
InChIKeyQNUPQAAVZJMCEZ-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.39
Rot. Bonds

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

2,3,3,4-tetrafluoro-4-methylthiolane (PubChem CID 87128421) has the molecular formula C5H6F4S and a molecular weight of 174.16 g/mol. Its IUPAC name is 2,3,3,4-tetrafluoro-4-methylthiolane.

Molecular Properties

Compound Name2,3,3,4-tetrafluoro-4-methylthiolane
PubChem CID87128421
Molecular FormulaC5H6F4S
Molecular Weight174.16 g/mol
Exact Mass174.01
IUPAC Name2,3,3,4-tetrafluoro-4-methylthiolane
SMILESCC1(F)CSC(F)C1(F)F
InChIInChI=1S/C5H6F4S/c1-4(7)2-10-3(6)5(4,8)9/h3H,2H2,1H3
InChIKeyQNUPQAAVZJMCEZ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,4,5-pentafluoro-4-methylthiolane
CID 87128738
2,2,4,5-tetrafluoro-4-methylthiolane
CID 66729879
2,2,3-trifluorothiirane
CID 54324343
2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
CID 87128764
ethane;2-methyl-1,3-dithiolane
CID 142062825
1-fluoro-1,2,2-trimethylcyclobutane
CID 11159316
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1-fluoro-1-methylcyclopropane
CID 18684623
2,2,3,5-tetrafluoro-3-(trifluoromethyl)thiolane
CID 87128815
2,3,3-trifluoro-4-(fluoromethyl)thiolane
CID 66730128
(1R)-1-fluoro-2-iodo-1-methylcyclopropane
CID 131968252
CID 173495629
CID 173495629

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetrafluoro-4-methylthiolane?
The IUPAC name of 2,3,3,4-tetrafluoro-4-methylthiolane (CID 87128421) is 2,3,3,4-tetrafluoro-4-methylthiolane.
What is the SMILES notation for 2,3,3,4-tetrafluoro-4-methylthiolane?
The canonical SMILES for 2,3,3,4-tetrafluoro-4-methylthiolane is CC1(F)CSC(F)C1(F)F.
What is the InChIKey of 2,3,3,4-tetrafluoro-4-methylthiolane?
The InChIKey is QNUPQAAVZJMCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4S/c1-4(7)2-10-3(6)5(4,8)9/h3H,2H2,1H3.
What are the key properties of 2,3,3,4-tetrafluoro-4-methylthiolane?
2,3,3,4-tetrafluoro-4-methylthiolane has a molecular weight of 174.16 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetrafluoro-4-methylthiolane is sourced from PubChem (CID 87128421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).