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

C8H15FOS — CID 105437757

IUPAC3-fluoro-4-(thiolan-2-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCCS1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)5-7-3-2-4-11-7/h6-8,10H,2-5H2,1H3
InChIKeyVEECQCXYAKZPEG-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.99
Rot. Bonds3

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

3-fluoro-4-(thiolan-2-yl)butan-2-ol (PubChem CID 105437757) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 3-fluoro-4-(thiolan-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-(thiolan-2-yl)butan-2-ol
PubChem CID105437757
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name3-fluoro-4-(thiolan-2-yl)butan-2-ol
SMILESCC(O)C(F)CC1CCCS1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)5-7-3-2-4-11-7/h6-8,10H,2-5H2,1H3
InChIKeyVEECQCXYAKZPEG-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Butylsulfanyl)octan-2-ol
CID 138376823
1-(Propylthio)octan-2-ol
CID 65130128
1-(Ethylsulfanyl)octan-2-ol
CID 65131213
1-(4-Fluorooctan-2-ylsulfanyl)hexan-2-ol
CID 18940175
1-(4-Fluorooctan-2-ylsulfanyl)decan-2-ol
CID 23287270
(2R,3S,4S)-2-ethyl-4-fluorothiolan-3-ol
CID 58320976
(2R,3S,4R,5S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 59796297
(2S,3R,4S,5S)-3-fluoro-5-(hydroxymethyl)-2-pentylthiolane-2,4-diol
CID 67465198
(4-Fluoro-5-methylthiolan-2-yl)methanol
CID 144573148
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 146406649
(2R,3S)-2-propylthiolan-3-ol
CID 12120014
4,4,4-Trifluoro-1-(thiolan-2-yl)butan-1-ol
CID 80621847

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(thiolan-2-yl)butan-2-ol?
The IUPAC name of 3-fluoro-4-(thiolan-2-yl)butan-2-ol (CID 105437757) is 3-fluoro-4-(thiolan-2-yl)butan-2-ol.
What is the SMILES notation for 3-fluoro-4-(thiolan-2-yl)butan-2-ol?
The canonical SMILES for 3-fluoro-4-(thiolan-2-yl)butan-2-ol is CC(O)C(F)CC1CCCS1.
What is the InChIKey of 3-fluoro-4-(thiolan-2-yl)butan-2-ol?
The InChIKey is VEECQCXYAKZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-6(10)8(9)5-7-3-2-4-11-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 3-fluoro-4-(thiolan-2-yl)butan-2-ol?
3-fluoro-4-(thiolan-2-yl)butan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 1.99, 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-2-yl)butan-2-ol is sourced from PubChem (CID 105437757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).