3-fluoro-4-(thiolan-3-yl)butan-2-ol

C8H15FOS — CID 105437756

IUPAC3-fluoro-4-(thiolan-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCSC1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)4-7-2-3-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeyBUMPQTLYZIOWMY-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.85
Rot. Bonds3

About 3-fluoro-4-(thiolan-3-yl)butan-2-ol

3-fluoro-4-(thiolan-3-yl)butan-2-ol (PubChem CID 105437756) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-fluoro-4-(thiolan-3-yl)butan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-(thiolan-3-yl)butan-2-ol
PubChem CID105437756
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name3-fluoro-4-(thiolan-3-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCSC1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)4-7-2-3-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeyBUMPQTLYZIOWMY-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 59796262
[(2S,4R,5S)-5-methyl-4-(trifluoromethyl)thiolan-2-yl]methanol
CID 68034780
(2S,3S,5S)-3-(fluoromethyl)-5-(hydroxymethyl)-2-methylthiolan-3-ol
CID 68034795
4-Fluoro-2-(hydroxymethyl)-4,5-dimethylthiolan-3-ol
CID 72564273
[(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
(2R,3S,4R,5S)-4-fluoro-2-(methoxymethyl)-4,5-dimethylthiolan-3-ol
CID 89258018
(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
(2R,3S,5S)-4-(1-fluoroethyl)-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 164129879
2-[5-(Trifluoromethyl)thiolan-3-yl]ethanol
CID 169666439

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiolan-3-yl)butan-2-ol?
The IUPAC name of 3-fluoro-4-(thiolan-3-yl)butan-2-ol (CID 105437756) is 3-fluoro-4-(thiolan-3-yl)butan-2-ol.
What is the SMILES notation for 3-fluoro-4-(thiolan-3-yl)butan-2-ol?
The canonical SMILES for 3-fluoro-4-(thiolan-3-yl)butan-2-ol is CC(O)C(F)CC1CCSC1.
What is the InChIKey of 3-fluoro-4-(thiolan-3-yl)butan-2-ol?
The InChIKey is BUMPQTLYZIOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-6(10)8(9)4-7-2-3-11-5-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-fluoro-4-(thiolan-3-yl)butan-2-ol?
3-fluoro-4-(thiolan-3-yl)butan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(thiolan-3-yl)butan-2-ol is sourced from PubChem (CID 105437756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).