N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide

C9H15F2NO4S — CID 104858140

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO4S/c10-9(11,6-13)5-12-8(14)3-7-1-2-17(15,16)4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyGOWGGMWNZVOWSO-UHFFFAOYSA-N
MW271.29 g/mol
LogP-0.44
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 104858140) has the molecular formula C9H15F2NO4S and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID104858140
Molecular FormulaC9H15F2NO4S
Molecular Weight271.29 g/mol
Exact Mass271.07
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCC(F)(F)CO
InChIInChI=1S/C9H15F2NO4S/c10-9(11,6-13)5-12-8(14)3-7-1-2-17(15,16)4-7/h7,13H,1-6H2,(H,12,14)
InChIKeyGOWGGMWNZVOWSO-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 104858140) is N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is GOWGGMWNZVOWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO4S/c10-9(11,6-13)5-12-8(14)3-7-1-2-17(15,16)4-7/h7,13H,1-6H2,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 271.29 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 104858140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).