propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate

C8H14F2O3S — CID 123338324

IUPACpropan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate
SMILESCC(C)OC(=O)CS(=O)CCC(F)F
InChIInChI=1S/C8H14F2O3S/c1-6(2)13-8(11)5-14(12)4-3-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyHLSNFDICGIVHHI-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.34
Rot. Bonds6

About propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate

propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate (PubChem CID 123338324) has the molecular formula C8H14F2O3S and a molecular weight of 228.26 g/mol. Its IUPAC name is propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate
PubChem CID123338324
Molecular FormulaC8H14F2O3S
Molecular Weight228.26 g/mol
Exact Mass228.06
IUPAC Namepropan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate
SMILESCC(C)OC(=O)CS(=O)CCC(F)F
InChIInChI=1S/C8H14F2O3S/c1-6(2)13-8(11)5-14(12)4-3-7(9)10/h6-7H,3-5H2,1-2H3
InChIKeyHLSNFDICGIVHHI-UHFFFAOYSA-N
XLogP1.34
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate?
The IUPAC name of propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate (CID 123338324) is propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate.
What is the SMILES notation for propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate?
The canonical SMILES for propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate is CC(C)OC(=O)CS(=O)CCC(F)F.
What is the InChIKey of propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate?
The InChIKey is HLSNFDICGIVHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O3S/c1-6(2)13-8(11)5-14(12)4-3-7(9)10/h6-7H,3-5H2,1-2H3.
What are the key properties of propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate?
propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate has a molecular weight of 228.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(3,3-difluoropropylsulfinyl)acetate is sourced from PubChem (CID 123338324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).