2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone

C10H16F2N2O4S — CID 86258742

IUPAC2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H16F2N2O4S/c11-10(12,9(15)13-5-7-18-8-6-13)19(16,17)14-3-1-2-4-14/h1-8H2
InChIKeyMYRSBFDAHPGWOT-UHFFFAOYSA-N
MW298.31 g/mol
LogP-0.14
Rot. Bonds3

About 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone

2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone (PubChem CID 86258742) has the molecular formula C10H16F2N2O4S and a molecular weight of 298.31 g/mol. Its IUPAC name is 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone.

Molecular Properties

Compound Name2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone
PubChem CID86258742
Molecular FormulaC10H16F2N2O4S
Molecular Weight298.31 g/mol
Exact Mass298.08
IUPAC Name2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone
SMILESO=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C10H16F2N2O4S/c11-10(12,9(15)13-5-7-18-8-6-13)19(16,17)14-3-1-2-4-14/h1-8H2
InChIKeyMYRSBFDAHPGWOT-UHFFFAOYSA-N
XLogP-0.14
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone?
The IUPAC name of 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone (CID 86258742) is 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone.
What is the SMILES notation for 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone?
The canonical SMILES for 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone is O=C(N1CCOCC1)C(F)(F)S(=O)(=O)N1CCCC1.
What is the InChIKey of 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone?
The InChIKey is MYRSBFDAHPGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O4S/c11-10(12,9(15)13-5-7-18-8-6-13)19(16,17)14-3-1-2-4-14/h1-8H2.
What are the key properties of 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone?
2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone has a molecular weight of 298.31 g/mol, XLogP of -0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-morpholin-4-yl-2-pyrrolidin-1-ylsulfonylethanone is sourced from PubChem (CID 86258742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).