2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane

C5H4F6S — CID 87128729

IUPAC2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane
SMILESFCC1(F)C(F)C(F)SC1(F)F
InChIInChI=1S/C5H4F6S/c6-1-4(9)2(7)3(8)12-5(4,10)11/h2-3H,1H2
InChIKeyBJUWLENBYMSHSR-UHFFFAOYSA-N
MW210.14 g/mol
LogP2.64
Rot. Bonds1

About 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane

2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane (PubChem CID 87128729) has the molecular formula C5H4F6S and a molecular weight of 210.14 g/mol. Its IUPAC name is 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane.

Molecular Properties

Compound Name2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane
PubChem CID87128729
Molecular FormulaC5H4F6S
Molecular Weight210.14 g/mol
Exact Mass209.99
IUPAC Name2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane
SMILESFCC1(F)C(F)C(F)SC1(F)F
InChIInChI=1S/C5H4F6S/c6-1-4(9)2(7)3(8)12-5(4,10)11/h2-3H,1H2
InChIKeyBJUWLENBYMSHSR-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.14
LogP ≤ 52.64
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-trifluoro-4-(fluoromethyl)thiolane
CID 66730128
2,3-diethyl-1,1-difluorocyclopropane
CID 24974569
2,3,3,4,5-pentafluoro-4-methylthiolane
CID 87128738
2,2,4,5-tetrafluoro-4-methylthiolane
CID 66729879
2,3,4-trifluoro-4-(fluoromethyl)thiolane 1,1-dioxide
CID 87128598
2,2,3,4,4,5-hexafluoro-3-(trifluoromethyl)thiolane
CID 87128764
2,3,3,4-tetrafluoro-4-methylthiolane
CID 87128421
trans-(2R,3S)-2-fluoro-1,1,3-trimethylcyclopropane
CID 134934913
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426

Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane?
The IUPAC name of 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane (CID 87128729) is 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane.
What is the SMILES notation for 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane?
The canonical SMILES for 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane is FCC1(F)C(F)C(F)SC1(F)F.
What is the InChIKey of 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane?
The InChIKey is BJUWLENBYMSHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6S/c6-1-4(9)2(7)3(8)12-5(4,10)11/h2-3H,1H2.
What are the key properties of 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane?
2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane has a molecular weight of 210.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,5-pentafluoro-3-(fluoromethyl)thiolane is sourced from PubChem (CID 87128729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).