(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate

C10H11F2NO4S — CID 169034292

IUPAC(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate
SMILESCC(=O)OCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H11F2NO4S/c1-8(14)17-7-5-10(11,12)18(15,16)9-4-2-3-6-13-9/h2-4,6H,5,7H2,1H3
InChIKeyOTFOMSIVNUEAFU-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.40
Rot. Bonds5

About (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate

(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate (PubChem CID 169034292) has the molecular formula C10H11F2NO4S and a molecular weight of 279.26 g/mol. Its IUPAC name is (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate.

Molecular Properties

Compound Name(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate
PubChem CID169034292
Molecular FormulaC10H11F2NO4S
Molecular Weight279.26 g/mol
Exact Mass279.04
IUPAC Name(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate
SMILESCC(=O)OCCC(F)(F)S(=O)(=O)c1ccccn1
InChIInChI=1S/C10H11F2NO4S/c1-8(14)17-7-5-10(11,12)18(15,16)9-4-2-3-6-13-9/h2-4,6H,5,7H2,1H3
InChIKeyOTFOMSIVNUEAFU-UHFFFAOYSA-N
XLogP1.40
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate?
The IUPAC name of (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate (CID 169034292) is (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate.
What is the SMILES notation for (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate?
The canonical SMILES for (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate is CC(=O)OCCC(F)(F)S(=O)(=O)c1ccccn1.
What is the InChIKey of (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate?
The InChIKey is OTFOMSIVNUEAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S/c1-8(14)17-7-5-10(11,12)18(15,16)9-4-2-3-6-13-9/h2-4,6H,5,7H2,1H3.
What are the key properties of (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate?
(3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate has a molecular weight of 279.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-3-pyridin-2-ylsulfonylpropyl) acetate is sourced from PubChem (CID 169034292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).