(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one

C6H9FO2S — CID 10607107

IUPAC(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one
SMILESCC(C)[C@H]1OC(=O)[C@H](F)S1
InChIInChI=1S/C6H9FO2S/c1-3(2)6-9-5(8)4(7)10-6/h3-4,6H,1-2H3/t4-,6+/m1/s1
InChIKeyBXMQJTSMKJUECV-XINAWCOVSA-N
MW164.20 g/mol
LogP1.55
Rot. Bonds1

About (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one

(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one (PubChem CID 10607107) has the molecular formula C6H9FO2S and a molecular weight of 164.20 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one
PubChem CID10607107
Molecular FormulaC6H9FO2S
Molecular Weight164.20 g/mol
Exact Mass164.03
IUPAC Name(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one
SMILESCC(C)[C@H]1OC(=O)[C@H](F)S1
InChIInChI=1S/C6H9FO2S/c1-3(2)6-9-5(8)4(7)10-6/h3-4,6H,1-2H3/t4-,6+/m1/s1
InChIKeyBXMQJTSMKJUECV-XINAWCOVSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one?
The IUPAC name of (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one (CID 10607107) is (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one.
What is the SMILES notation for (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one?
The canonical SMILES for (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one is CC(C)[C@H]1OC(=O)[C@H](F)S1.
What is the InChIKey of (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one?
The InChIKey is BXMQJTSMKJUECV-XINAWCOVSA-N. The full InChI is InChI=1S/C6H9FO2S/c1-3(2)6-9-5(8)4(7)10-6/h3-4,6H,1-2H3/t4-,6+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one?
(2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one has a molecular weight of 164.20 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-2-propan-2-yl-1,3-oxathiolan-5-one is sourced from PubChem (CID 10607107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).