2-fluoro-2-(thian-4-yl)ethanol

C7H13FOS — CID 105432510

IUPAC2-fluoro-2-(thian-4-yl)ethanol
SMILESOCC(F)C1CCSCC1
InChIInChI=1S/C7H13FOS/c8-7(5-9)6-1-3-10-4-2-6/h6-7,9H,1-5H2
InChIKeyXMMYBAOOYYXCQM-UHFFFAOYSA-N
MW164.24 g/mol
LogP1.46
Rot. Bonds2

About 2-fluoro-2-(thian-4-yl)ethanol

2-fluoro-2-(thian-4-yl)ethanol (PubChem CID 105432510) has the molecular formula C7H13FOS and a molecular weight of 164.24 g/mol. Its IUPAC name is 2-fluoro-2-(thian-4-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(thian-4-yl)ethanol
PubChem CID105432510
Molecular FormulaC7H13FOS
Molecular Weight164.24 g/mol
Exact Mass164.07
IUPAC Name2-fluoro-2-(thian-4-yl)ethanol
SMILESOCC(F)C1CCSCC1
InChIInChI=1S/C7H13FOS/c8-7(5-9)6-1-3-10-4-2-6/h6-7,9H,1-5H2
InChIKeyXMMYBAOOYYXCQM-UHFFFAOYSA-N
XLogP1.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(thian-4-yl)ethanol?
The IUPAC name of 2-fluoro-2-(thian-4-yl)ethanol (CID 105432510) is 2-fluoro-2-(thian-4-yl)ethanol.
What is the SMILES notation for 2-fluoro-2-(thian-4-yl)ethanol?
The canonical SMILES for 2-fluoro-2-(thian-4-yl)ethanol is OCC(F)C1CCSCC1.
What is the InChIKey of 2-fluoro-2-(thian-4-yl)ethanol?
The InChIKey is XMMYBAOOYYXCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FOS/c8-7(5-9)6-1-3-10-4-2-6/h6-7,9H,1-5H2.
What are the key properties of 2-fluoro-2-(thian-4-yl)ethanol?
2-fluoro-2-(thian-4-yl)ethanol has a molecular weight of 164.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(thian-4-yl)ethanol is sourced from PubChem (CID 105432510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).