1-fluoro-1-(thian-3-yl)propan-2-ol

C8H15FOS — CID 105437758

IUPAC1-fluoro-1-(thian-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCSC1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeyXWZSMQREMFFCIM-UHFFFAOYSA-N
MW178.27 g/mol
LogP1.85
Rot. Bonds2

About 1-fluoro-1-(thian-3-yl)propan-2-ol

1-fluoro-1-(thian-3-yl)propan-2-ol (PubChem CID 105437758) has the molecular formula C8H15FOS and a molecular weight of 178.27 g/mol. Its IUPAC name is 1-fluoro-1-(thian-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-1-(thian-3-yl)propan-2-ol
PubChem CID105437758
Molecular FormulaC8H15FOS
Molecular Weight178.27 g/mol
Exact Mass178.08
IUPAC Name1-fluoro-1-(thian-3-yl)propan-2-ol
SMILESCC(O)C(F)C1CCCSC1
InChIInChI=1S/C8H15FOS/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3
InChIKeyXWZSMQREMFFCIM-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

6-Ethyl-2,3-dimethylthian-4-ol
CID 3430060
(2R,3S,5S)-4-(1-fluoroethyl)-2-(hydroxymethyl)-5-methylthiolan-3-ol
CID 164129879
4-(4,4,4-Trifluorobutyl)thiolan-3-ol
CID 83191539
5,5,5-Trifluoro-1-(thian-4-yl)pentan-2-ol
CID 105104596
6,6,6-Trifluoro-1-(thian-4-yl)hexan-2-ol
CID 105120557
2-Fluoro-2-(thian-3-yl)ethanol
CID 105432509
1-Fluoro-1-(thiolan-3-yl)propan-2-ol
CID 105432511
2-Fluoro-3-(thian-3-yl)propan-1-ol
CID 105437754
2-Fluoro-3-(thian-4-yl)propan-1-ol
CID 105437755
3-Fluoro-4-(thiolan-3-yl)butan-2-ol
CID 105437756
1-Fluoro-1-(thian-4-yl)propan-2-ol
CID 105437759
2,2-Difluoro-2-(thian-3-yl)ethan-1-ol
CID 105440136

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(thian-3-yl)propan-2-ol?
The IUPAC name of 1-fluoro-1-(thian-3-yl)propan-2-ol (CID 105437758) is 1-fluoro-1-(thian-3-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-1-(thian-3-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-1-(thian-3-yl)propan-2-ol is CC(O)C(F)C1CCCSC1.
What is the InChIKey of 1-fluoro-1-(thian-3-yl)propan-2-ol?
The InChIKey is XWZSMQREMFFCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FOS/c1-6(10)8(9)7-3-2-4-11-5-7/h6-8,10H,2-5H2,1H3.
What are the key properties of 1-fluoro-1-(thian-3-yl)propan-2-ol?
1-fluoro-1-(thian-3-yl)propan-2-ol has a molecular weight of 178.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(thian-3-yl)propan-2-ol is sourced from PubChem (CID 105437758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).