(4,4,5,5-tetrafluorothiolan-2-yl)methanol

C5H6F4OS — CID 23233775

IUPAC(4,4,5,5-tetrafluorothiolan-2-yl)methanol
SMILESOCC1CC(F)(F)C(F)(F)S1
InChIInChI=1S/C5H6F4OS/c6-4(7)1-3(2-10)11-5(4,8)9/h3,10H,1-2H2
InChIKeyXHEWCJOFJMIVGK-UHFFFAOYSA-N
MW190.16 g/mol
LogP1.71
Rot. Bonds1

About (4,4,5,5-tetrafluorothiolan-2-yl)methanol

(4,4,5,5-tetrafluorothiolan-2-yl)methanol (PubChem CID 23233775) has the molecular formula C5H6F4OS and a molecular weight of 190.16 g/mol. Its IUPAC name is (4,4,5,5-tetrafluorothiolan-2-yl)methanol.

Molecular Properties

Compound Name(4,4,5,5-tetrafluorothiolan-2-yl)methanol
PubChem CID23233775
Molecular FormulaC5H6F4OS
Molecular Weight190.16 g/mol
Exact Mass190.01
IUPAC Name(4,4,5,5-tetrafluorothiolan-2-yl)methanol
SMILESOCC1CC(F)(F)C(F)(F)S1
InChIInChI=1S/C5H6F4OS/c6-4(7)1-3(2-10)11-5(4,8)9/h3,10H,1-2H2
InChIKeyXHEWCJOFJMIVGK-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-(Perfluorobutylthio)propanol
CID 86094481
[2-(Trifluoromethyl)thiolan-2-yl]methanol
CID 165646484
[(2R,5S)-5-fluorothiolan-2-yl]methanol
CID 57166691
4-((4,4,5,5,5-Pentafluoropentyl)thio)butan-1-ol
CID 86683466
5-(Trifluoromethylsulfanyl)pentan-1-ol
CID 116627276
5-(Trifluoromethyl)thiolan-3-ol
CID 123390086
(3-Fluorothiolan-2-yl)methanol
CID 138648461
[(2S,4S)-4-fluorothiolan-2-yl]methanol
CID 146516477
[(2S,4R)-4-fluorothiolan-2-yl]methanol
CID 146516478
[(2S)-4,4-difluorothiolan-2-yl]methanol
CID 146516500
[(2S)-3,3-difluorothiolan-2-yl]methanol
CID 71372729
3-Pentafluoroethylsulfanyl-propan-1-ol
CID 75530367

Frequently Asked Questions

What is the IUPAC name of (4,4,5,5-tetrafluorothiolan-2-yl)methanol?
The IUPAC name of (4,4,5,5-tetrafluorothiolan-2-yl)methanol (CID 23233775) is (4,4,5,5-tetrafluorothiolan-2-yl)methanol.
What is the SMILES notation for (4,4,5,5-tetrafluorothiolan-2-yl)methanol?
The canonical SMILES for (4,4,5,5-tetrafluorothiolan-2-yl)methanol is OCC1CC(F)(F)C(F)(F)S1.
What is the InChIKey of (4,4,5,5-tetrafluorothiolan-2-yl)methanol?
The InChIKey is XHEWCJOFJMIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4OS/c6-4(7)1-3(2-10)11-5(4,8)9/h3,10H,1-2H2.
What are the key properties of (4,4,5,5-tetrafluorothiolan-2-yl)methanol?
(4,4,5,5-tetrafluorothiolan-2-yl)methanol has a molecular weight of 190.16 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,5,5-tetrafluorothiolan-2-yl)methanol is sourced from PubChem (CID 23233775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).