[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol

C7H13FO3S — CID 84773973

IUPAC[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol
SMILESO=S1(=O)CCC(CO)(CF)CC1
InChIInChI=1S/C7H13FO3S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h9H,1-6H2
InChIKeyUVCONJOSXNVULG-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.14
Rot. Bonds2

About [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol

[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol (PubChem CID 84773973) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol.

Molecular Properties

Compound Name[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol
PubChem CID84773973
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol
SMILESO=S1(=O)CCC(CO)(CF)CC1
InChIInChI=1S/C7H13FO3S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h9H,1-6H2
InChIKeyUVCONJOSXNVULG-UHFFFAOYSA-N
XLogP0.14
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol?
The IUPAC name of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol (CID 84773973) is [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol.
What is the SMILES notation for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol?
The canonical SMILES for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol is O=S1(=O)CCC(CO)(CF)CC1.
What is the InChIKey of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol?
The InChIKey is UVCONJOSXNVULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-5-7(6-9)1-3-12(10,11)4-2-7/h9H,1-6H2.
What are the key properties of [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol?
[4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol has a molecular weight of 196.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)-1,1-dioxothian-4-yl]methanol is sourced from PubChem (CID 84773973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).