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

C9H14F3NO4S — CID 103723120

IUPAC2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)7(14)4-13-8(15)3-6-1-2-18(16,17)5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyPIWPIIMMVSTSOG-UHFFFAOYSA-N
MW289.28 g/mol
LogP-0.15
Rot. Bonds4

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

2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103723120) has the molecular formula C9H14F3NO4S and a molecular weight of 289.28 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103723120
Molecular FormulaC9H14F3NO4S
Molecular Weight289.28 g/mol
Exact Mass289.06
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)NCC(O)C(F)(F)F
InChIInChI=1S/C9H14F3NO4S/c10-9(11,12)7(14)4-13-8(15)3-6-1-2-18(16,17)5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyPIWPIIMMVSTSOG-UHFFFAOYSA-N
XLogP-0.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103723120) is 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CCS(=O)(=O)C1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is PIWPIIMMVSTSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4S/c10-9(11,12)7(14)4-13-8(15)3-6-1-2-18(16,17)5-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 289.28 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103723120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).