2,3,3,4,5-pentafluoro-4-methylthiolane

C5H5F5S — CID 87128738

IUPAC2,3,3,4,5-pentafluoro-4-methylthiolane
SMILESCC1(F)C(F)SC(F)C1(F)F
InChIInChI=1S/C5H5F5S/c1-4(8)2(6)11-3(7)5(4,9)10/h2-3H,1H3
InChIKeySHLXVCPUHGWREV-UHFFFAOYSA-N
MW192.15 g/mol
LogP2.69
Rot. Bonds

About 2,3,3,4,5-pentafluoro-4-methylthiolane

2,3,3,4,5-pentafluoro-4-methylthiolane (PubChem CID 87128738) has the molecular formula C5H5F5S and a molecular weight of 192.15 g/mol. Its IUPAC name is 2,3,3,4,5-pentafluoro-4-methylthiolane.

Molecular Properties

Compound Name2,3,3,4,5-pentafluoro-4-methylthiolane
PubChem CID87128738
Molecular FormulaC5H5F5S
Molecular Weight192.15 g/mol
Exact Mass192.00
IUPAC Name2,3,3,4,5-pentafluoro-4-methylthiolane
SMILESCC1(F)C(F)SC(F)C1(F)F
InChIInChI=1S/C5H5F5S/c1-4(8)2(6)11-3(7)5(4,9)10/h2-3H,1H3
InChIKeySHLXVCPUHGWREV-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,3,4,5-pentafluoro-4-(fluoromethyl)thiolane
CID 87128489
2,2,3-trifluorothiirane
CID 54324343
2,3,3,4-tetrafluoro-4-methylthiolane
CID 87128421
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
2,2,4,5-tetrafluoro-4-methylthiolane
CID 66729879
1,1,2,2,3,3,4-heptafluoro-4,5-dimethylcyclopentane
CID 155107426
2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
CID 87128764
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,4,5,6-octafluorocyclohexane
CID 22495201
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,5-pentafluoro-4-methylthiolane?
The IUPAC name of 2,3,3,4,5-pentafluoro-4-methylthiolane (CID 87128738) is 2,3,3,4,5-pentafluoro-4-methylthiolane.
What is the SMILES notation for 2,3,3,4,5-pentafluoro-4-methylthiolane?
The canonical SMILES for 2,3,3,4,5-pentafluoro-4-methylthiolane is CC1(F)C(F)SC(F)C1(F)F.
What is the InChIKey of 2,3,3,4,5-pentafluoro-4-methylthiolane?
The InChIKey is SHLXVCPUHGWREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5S/c1-4(8)2(6)11-3(7)5(4,9)10/h2-3H,1H3.
What are the key properties of 2,3,3,4,5-pentafluoro-4-methylthiolane?
2,3,3,4,5-pentafluoro-4-methylthiolane has a molecular weight of 192.15 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,5-pentafluoro-4-methylthiolane is sourced from PubChem (CID 87128738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).