(3-fluorothiolan-2-yl)methanol

C5H9FOS — CID 138648461

IUPAC(3-fluorothiolan-2-yl)methanol
SMILESOCC1SCCC1F
InChIInChI=1S/C5H9FOS/c6-4-1-2-8-5(4)3-7/h4-5,7H,1-3H2
InChIKeyFFOBVHQGJXMREZ-UHFFFAOYSA-N
MW136.19 g/mol
LogP0.82
Rot. Bonds1

About (3-fluorothiolan-2-yl)methanol

(3-fluorothiolan-2-yl)methanol (PubChem CID 138648461) has the molecular formula C5H9FOS and a molecular weight of 136.19 g/mol. Its IUPAC name is (3-fluorothiolan-2-yl)methanol.

Molecular Properties

Compound Name(3-fluorothiolan-2-yl)methanol
PubChem CID138648461
Molecular FormulaC5H9FOS
Molecular Weight136.19 g/mol
Exact Mass136.04
IUPAC Name(3-fluorothiolan-2-yl)methanol
SMILESOCC1SCCC1F
InChIInChI=1S/C5H9FOS/c6-4-1-2-8-5(4)3-7/h4-5,7H,1-3H2
InChIKeyFFOBVHQGJXMREZ-UHFFFAOYSA-N
XLogP0.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothiolan-2-yl)methanol?
The IUPAC name of (3-fluorothiolan-2-yl)methanol (CID 138648461) is (3-fluorothiolan-2-yl)methanol.
What is the SMILES notation for (3-fluorothiolan-2-yl)methanol?
The canonical SMILES for (3-fluorothiolan-2-yl)methanol is OCC1SCCC1F.
What is the InChIKey of (3-fluorothiolan-2-yl)methanol?
The InChIKey is FFOBVHQGJXMREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FOS/c6-4-1-2-8-5(4)3-7/h4-5,7H,1-3H2.
What are the key properties of (3-fluorothiolan-2-yl)methanol?
(3-fluorothiolan-2-yl)methanol has a molecular weight of 136.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiolan-2-yl)methanol is sourced from PubChem (CID 138648461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).