N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide

C7H11F2NO3S — CID 103515515

IUPACN-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C(F)F
InChIInChI=1S/C7H11F2NO3S/c8-6(9)7(11)10-5-2-1-3-14(12,13)4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyMPIPXTFKANYNRE-UHFFFAOYSA-N
MW227.23 g/mol
LogP-0.06
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide

N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide (PubChem CID 103515515) has the molecular formula C7H11F2NO3S and a molecular weight of 227.23 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide
PubChem CID103515515
Molecular FormulaC7H11F2NO3S
Molecular Weight227.23 g/mol
Exact Mass227.04
IUPAC NameN-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C(F)F
InChIInChI=1S/C7H11F2NO3S/c8-6(9)7(11)10-5-2-1-3-14(12,13)4-5/h5-6H,1-4H2,(H,10,11)
InChIKeyMPIPXTFKANYNRE-UHFFFAOYSA-N
XLogP-0.06
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide (CID 103515515) is N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide is O=C(NC1CCCS(=O)(=O)C1)C(F)F.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide?
The InChIKey is MPIPXTFKANYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3S/c8-6(9)7(11)10-5-2-1-3-14(12,13)4-5/h5-6H,1-4H2,(H,10,11).
What are the key properties of N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide?
N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide has a molecular weight of 227.23 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103515515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).