2-(4-fluorothiolan-3-yl)ethanol

C6H11FOS — CID 105429477

IUPAC2-(4-fluorothiolan-3-yl)ethanol
SMILESOCCC1CSCC1F
InChIInChI=1S/C6H11FOS/c7-6-4-9-3-5(6)1-2-8/h5-6,8H,1-4H2
InChIKeyDEKRSKHXCLFQJW-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.07
Rot. Bonds2

About 2-(4-fluorothiolan-3-yl)ethanol

2-(4-fluorothiolan-3-yl)ethanol (PubChem CID 105429477) has the molecular formula C6H11FOS and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-fluorothiolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-fluorothiolan-3-yl)ethanol
PubChem CID105429477
Molecular FormulaC6H11FOS
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Name2-(4-fluorothiolan-3-yl)ethanol
SMILESOCCC1CSCC1F
InChIInChI=1S/C6H11FOS/c7-6-4-9-3-5(6)1-2-8/h5-6,8H,1-4H2
InChIKeyDEKRSKHXCLFQJW-UHFFFAOYSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiolan-3-ylmethanol
CID 20624486
Tetrahydro-2,2-dimethyl-3-thiophenemethanol
CID 12760971
[2-(Trifluoromethyl)thiolan-2-yl]methanol
CID 165646484
[(2R,5S)-5-fluorothiolan-2-yl]methanol
CID 57166691
(3-Fluoro-3,4-dimethylthietan-2-yl)methanol
CID 57565703
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
[(2S,4R,5S)-4-(fluoromethyl)-5-methylthiolan-2-yl]methanol
CID 89078257
[(2S,3S,4R,5S)-4-fluoro-3,5-dimethylthiolan-2-yl]methanol
CID 89109116
(4-Fluoro-4,5-dimethylthiolan-2-yl)methanol
CID 90982455
(3S,4S,5R)-5-ethyl-3-fluoro-4-methylthiolan-2-ol
CID 118119109
(4S,5S)-5-ethyl-3,3-difluoro-4-methylthiolan-2-ol
CID 118119213
(3-Fluorothiolan-2-yl)methanol
CID 138648461

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorothiolan-3-yl)ethanol?
The IUPAC name of 2-(4-fluorothiolan-3-yl)ethanol (CID 105429477) is 2-(4-fluorothiolan-3-yl)ethanol.
What is the SMILES notation for 2-(4-fluorothiolan-3-yl)ethanol?
The canonical SMILES for 2-(4-fluorothiolan-3-yl)ethanol is OCCC1CSCC1F.
What is the InChIKey of 2-(4-fluorothiolan-3-yl)ethanol?
The InChIKey is DEKRSKHXCLFQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FOS/c7-6-4-9-3-5(6)1-2-8/h5-6,8H,1-4H2.
What are the key properties of 2-(4-fluorothiolan-3-yl)ethanol?
2-(4-fluorothiolan-3-yl)ethanol has a molecular weight of 150.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorothiolan-3-yl)ethanol is sourced from PubChem (CID 105429477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).