ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate

C10H10F2O4S — CID 14897846

IUPACethyl 2-(benzenesulfonyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F2O4S/c1-2-16-9(13)10(11,12)17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyPDNMKBUQRNABKI-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.62
Rot. Bonds4

About ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate

ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate (PubChem CID 14897846) has the molecular formula C10H10F2O4S and a molecular weight of 264.25 g/mol. Its IUPAC name is ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate.

Molecular Properties

Compound Nameethyl 2-(benzenesulfonyl)-2,2-difluoroacetate
PubChem CID14897846
Molecular FormulaC10H10F2O4S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Nameethyl 2-(benzenesulfonyl)-2,2-difluoroacetate
SMILESCCOC(=O)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H10F2O4S/c1-2-16-9(13)10(11,12)17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyPDNMKBUQRNABKI-UHFFFAOYSA-N
XLogP1.62
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate?
The IUPAC name of ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate (CID 14897846) is ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate.
What is the SMILES notation for ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate?
The canonical SMILES for ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate is CCOC(=O)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate?
The InChIKey is PDNMKBUQRNABKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O4S/c1-2-16-9(13)10(11,12)17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate?
ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate has a molecular weight of 264.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzenesulfonyl)-2,2-difluoroacetate is sourced from PubChem (CID 14897846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).