(3-fluoro-1,1-dioxothian-4-yl)methanol

C6H11FO3S — CID 105439987

IUPAC(3-fluoro-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(CO)C(F)C1
InChIInChI=1S/C6H11FO3S/c7-6-4-11(9,10)2-1-5(6)3-8/h5-6,8H,1-4H2
InChIKeyDJTXQZQMACNHET-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.25
Rot. Bonds1

About (3-fluoro-1,1-dioxothian-4-yl)methanol

(3-fluoro-1,1-dioxothian-4-yl)methanol (PubChem CID 105439987) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is (3-fluoro-1,1-dioxothian-4-yl)methanol.

Molecular Properties

Compound Name(3-fluoro-1,1-dioxothian-4-yl)methanol
PubChem CID105439987
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name(3-fluoro-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(CO)C(F)C1
InChIInChI=1S/C6H11FO3S/c7-6-4-11(9,10)2-1-5(6)3-8/h5-6,8H,1-4H2
InChIKeyDJTXQZQMACNHET-UHFFFAOYSA-N
XLogP-0.25
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1,1-dioxothian-4-yl)methanol?
The IUPAC name of (3-fluoro-1,1-dioxothian-4-yl)methanol (CID 105439987) is (3-fluoro-1,1-dioxothian-4-yl)methanol.
What is the SMILES notation for (3-fluoro-1,1-dioxothian-4-yl)methanol?
The canonical SMILES for (3-fluoro-1,1-dioxothian-4-yl)methanol is O=S1(=O)CCC(CO)C(F)C1.
What is the InChIKey of (3-fluoro-1,1-dioxothian-4-yl)methanol?
The InChIKey is DJTXQZQMACNHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO3S/c7-6-4-11(9,10)2-1-5(6)3-8/h5-6,8H,1-4H2.
What are the key properties of (3-fluoro-1,1-dioxothian-4-yl)methanol?
(3-fluoro-1,1-dioxothian-4-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1,1-dioxothian-4-yl)methanol is sourced from PubChem (CID 105439987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).