4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide

C3H5FO4S — CID 170361089

IUPAC4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(CF)O1
InChIInChI=1S/C3H5FO4S/c4-1-3-2-7-9(5,6)8-3/h3H,1-2H2
InChIKeyRMYYSCSALRXYOY-UHFFFAOYSA-N
MW156.13 g/mol
LogP-0.38
Rot. Bonds1

About 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide

4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide (PubChem CID 170361089) has the molecular formula C3H5FO4S and a molecular weight of 156.13 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
PubChem CID170361089
Molecular FormulaC3H5FO4S
Molecular Weight156.13 g/mol
Exact Mass155.99
IUPAC Name4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide
SMILESO=S1(=O)OCC(CF)O1
InChIInChI=1S/C3H5FO4S/c4-1-3-2-7-9(5,6)8-3/h3H,1-2H2
InChIKeyRMYYSCSALRXYOY-UHFFFAOYSA-N
XLogP-0.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The IUPAC name of 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide (CID 170361089) is 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide.
What is the SMILES notation for 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The canonical SMILES for 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide is O=S1(=O)OCC(CF)O1.
What is the InChIKey of 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide?
The InChIKey is RMYYSCSALRXYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO4S/c4-1-3-2-7-9(5,6)8-3/h3H,1-2H2.
What are the key properties of 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide?
4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide has a molecular weight of 156.13 g/mol, XLogP of -0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3,2-dioxathiolane 2,2-dioxide is sourced from PubChem (CID 170361089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).